SCHEMBL93287

SCHEMBL93287

Cc1ccccc1N=C=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.64
TRPA1 O75762 1/20 0.55
TSHR P16473 5/20 0.41
ACHE P22303 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
SIGMAR1 Q99720 4/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL29541215 1.00 CYP3A4 (0.64) CYP3A4TRPA1TSHRACHECYP2C9
Ammonia Solution, Strong SCHEMBL28143069 0.98 CYP3A4 (0.61) CYP3A4TRPA1TSHRACHECYP2C9
SCHEMBL7394961 0.94 CYP3A4 (0.57) CYP3A4TRPA1TSHRACHECYP2C9
Isothiocyanate SCHEMBL28957747 0.90 CYP3A4 (0.53) CYP3A4TRPA1TSHRACHECYP2C9
SCHEMBL9795434 0.87 CYP3A4 (0.50) CYP3A4TRPA1TSHRACHECYP2C9
SCHEMBL7001694 0.87 GABRA1 (0.52) CYP3A4TRPA1TSHRCYP2C9TDP1
SCHEMBL3341321 0.87 CYP3A4 (0.50) CYP3A4TRPA1TSHRCYP2C9TDP1
SCHEMBL11177013 0.84 CYP3A4 (0.54) CYP3A4TRPA1TSHRCYP2C9TDP1
SCHEMBL8093597 0.84 CYP3A4 (0.47) CYP3A4TRPA1TSHRTDP1ALDH1A1
Hexamethylbenzene SCHEMBL28101399 0.83 CYP3A4 (0.74) CYP3A4TRPA1TSHRACHETDP1

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 4042 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4613796-A1 STAR-SHAPED POLYMERS Evonik Operations GmbH (DE) 2025-09-10 EP claimed
EP-3529319-B1 RHEOLOGY-MODIFYING URETHANE COMPOUND COATEX SAS (FR) 2025-07-30 EP claimed
CN-119504819-A Method for selectively catalyzing isocyanate hydroboration by organic aluminum compound and application 北京理工大学 2025-02-25 CN claimed
CN-119285502-A Free radical self-release antifouling agent containing oxime urethane group and preparation method and application thereof 哈尔滨工程大学 2025-01-10 CN claimed
CN-119161580-A Amide group-containing polydisulfide degradable high polymer material and preparation method thereof 衢州化工新材料创新研究院 2024-12-20 CN claimed
CN-118894793-A Preparation method of dichloro methyl phenyl isocyanate 乐平市赛复乐医药化工有限公司 2024-11-05 CN claimed
CN-118894794-A Method for preparing dichloro methyl phenyl isocyanate by continuous flow photocatalysis 乐平市赛复乐医药化工有限公司 2024-11-05 CN claimed
CN-118084961-A Rare earth metal amino compound and preparation method and application thereof 安徽师范大学 2024-05-28 CN claimed
EP-3268191-B1 BINDER COMPOSITION AND ITS USE IN PROCESSES FOR THE PRODUCTION OF WOOD FIBRE BOARDS NOVAMONT SPA (IT) 2023-12-06 EP claimed
CN-117126594-A Optical coating composition, optical coating and photovoltaic module comprising optical coating composition 浙江福斯特新材料研究院有限公司 2023-11-28 CN claimed
EP-0023649-B1 PROCESS FOR PREPARING ALICYCLIC ISOCYANATES MITSUI TOATSU CHEMICALS, Inc. (JP) 1983-07-06 EP claimed
US-4328325-A Process for the preparation of polymers containing urethane groups WACKER CHEMIE GMBH (DE) 1982-05-04 US claimed
US-4299766-A FROM A LACTAM-BLOCKED AROMATIC ISOCYANATE FOLLOWED BY CATALYTIC HYDROGENATION MITSUI TOATSU CHEMICALS, INC. (JP) 1981-11-10 US claimed
US-4294719-A ALSO URETONE-IMINE GROUPS; HIGHLY SELECTIVE, REMOVABLE CATALYST MATRIX BAYER AKTIENGESELLSCHAFT (DE) 1981-10-13 US claimed
US-4264645-A BY TREATING WITH A HYDROPHILIZING AGENT COMPRISING A POLYETHER HAVING CROSSLINKABLE END GROUPS BAYER AKTIENGESSELLSCHAFT (DE) 1981-04-28 US claimed
EP-0019349-A1 Stabilizing composition for polyarylene esters, stabilized polyarylene ester, moulded article produced therefrom and process for stabilizing a polyarylene ester MONSANTO COMPANY (US) 1980-11-26 EP claimed
US-4222932-A MOLDING MATERIALS STABILIZED BY ADDING AN AROMATIC ISOCYANATE AND AN ALIPHATIC PHOSPHITE MONSANTO COMPANY (US) 1980-09-16 US claimed
US-4135045-A PROCESS FOR POLYMERIZATION OF OLEFINS AND CATALYST COMPOSITION THEREFOR MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1979-01-16 US claimed
US-4048415-A TITANIUM-ALUMINUM COORDINATION CATALYSTS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JA) 1977-09-13 US claimed
US-3947412-A CYCLIZATION IN THE PRESENCE OF HEAVY METALS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-30 US claimed