SCHEMBL81238

SCHEMBL81238

CC[N+](CC)(CC)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRNA7 P36544 6/20 0.49
CHRNB4 P30926 5/20 0.49
CHRNA3 P32297 5/20 0.49
DNM1 Q05193 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL29130108 1.00 KDM4E (0.54) KDM4EALDH1A1TDP1TP53CYP1A2
Hydrogen Sulfide SCHEMBL5998579 1.00 KDM4E (0.54) KDM4EALDH1A1TDP1TP53CYP1A2
Bromide SCHEMBL653934 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
SCHEMBL990633 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Hydrochloric Acid SCHEMBL7263495 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Water SCHEMBL1973851 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Bromide SCHEMBL117943 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Hydrochloric Acid SCHEMBL80718 0.97 KDM4E (0.58) KDM4EALDH1A1TDP1TP53CYP1A2
SCHEMBL11224727 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2
Iodide SCHEMBL239644 0.97 KDM4E (0.52) KDM4EALDH1A1TDP1TP53CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 7550 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122094942-A Novel azide condensation of 6-hydroxybenzomorpholine (3, 4-dihydro-2H-1, 4-benzoxazin-6-ol) 2026-05-26 CN claimed
WO-2026044024-A1 COMPOSITIONS COMPRISING COMBINATIONS OF PHARMACEUTICALLY ACCEPTABLE SALTS AND OTHER DERIVATIVES OF GLUCAGON-LIKE PEPTIDE-1 RECEPTOR AGONIST AND PHARMACEUTICALLY ACCEPTABLE SALTS AND OTHER DERIVATIVES OF AMYLIN ANALOG, AND USES THEREOF I2O THERAPEUTICS, INC. (US) 2026-02-26 WO claimed
US-20250354050-A1 COMBINATION PRODUCTS CONTAINING ANTI-AGGLOMERANT LOW DOSE HYDRATE INHIBITORS AND CORROSION INHIBITORS WITH IMPROVED CORROSION RESISTANCE CHAMPIONX LLC (US) 2025-11-20 US claimed
US-20250230358-A1 COMPOSITION, METHOD FOR TREATING OBJECT TO BE TREATED, AND METHOD FOR MANUFACTURING SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2025-07-17 US claimed
CN-120040500-A Soluble unsaturated double quaternary ammonium bisphosphonate 江苏海洋大学 2025-05-27 CN claimed
CN-120040501-A Double phosphonic acid double salt containing acryloyloxy and quaternary ammonium cations 江苏海洋大学 2025-05-27 CN claimed
WO-2025099125-A1 NEW TELESCOPING SYNTHESES OF 6-HYDROXY-BENZOMORPHOLINE (3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-OL) WELLA GERMANY GMBH (DE) 2025-05-15 WO claimed
CN-119707757-A Preparation method of 2-mercapto-6-chlorobenzoic acid 江苏致容生物研发有限公司 2025-03-28 CN claimed
EP-4048751-B1 POLISHING COMPOSITION AND METHOD WITH HIGH SELECTIVITY FOR SILICON NITRIDE AND POLYSILICON OVER SILICON OXIDE CMC MAT LLC (US) 2025-03-19 EP claimed
US-12252632-B2 Chemical-mechanical polishing composition, rinse composition, chemical- mechanical polishing method, and rinsing method ENTEGRIS, INC. (US) 2025-03-18 US claimed
EP-0008057-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED ALPHA-HALOACETANILIDES BAYER AG (DE) 1982-05-12 EP claimed
EP-0049384-A1 N-denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1982-04-14 EP claimed
EP-0004570-B1 THIOL ESTERS, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A PROCESS FOR PREPARING CEPHALOSPORIN COMPOUNDS USING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-14 EP claimed
US-4284769-A FORMATION/C-C/, OXIDATON AKZONA INCORPORATED (US) 1981-08-18 US claimed
US-4272435-A Process for the preparation of azo compounds from amino compounds in the presence of a phase transfer catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-06-09 US claimed
EP-0024503-A1 N-denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1981-03-11 EP claimed
EP-0024241-A1 Sulphonated compounds comprising a lactone ring and the preparation of cyclopropane derivatives therefrom ROUSSEL-UCLAF (FR) 1981-02-25 EP claimed
US-4229356-A Production of vitamin K1 and vitamin K2 WAKUNAGA YAKUHIN KABUSHIKI KAISHA (JP) 1980-10-21 US claimed
US-4196151-A Process for producing β,γ-unsaturated aldehyde NIPPON OIL AND FATS CO., LTD. (JP) 1980-04-01 US claimed
US-3996259-A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT THE DOW CHEMICAL COMPANY (US) 1976-12-07 US claimed