SCHEMBL722136

SCHEMBL722136

Cc1cccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
TDP1 Q9NUW8 4/20 0.67
TSHR P16473 5/20 0.58
ERN1 O75460 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.44
KAT2B Q92831 1/20 0.42
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL9417632 0.86 ERN1 (0.57) ALDH1A1TDP1TSHRERN1CYP3A4
SCHEMBL16956500 0.83 ALDH1A1 (0.64) ALDH1A1TDP1TSHRERN1SMN1; SMN2
SCHEMBL14332786 0.83 ALDH1A1 (0.64) ALDH1A1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL12368097 0.82 ALDH1A1 (0.58) ALDH1A1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL635089 0.81 ALDH1A1 (1.00) ALDH1A1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL24331538 0.80 ALDH1A1 (0.60) ALDH1A1TDP1TSHRERN1SMN1; SMN2
SCHEMBL28521563 0.79 ALDH1A1 (0.95) ALDH1A1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL5593393 0.79 ALDH1A1 (0.58) ALDH1A1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL4890541 0.79 ALDH1A1 (0.58) ALDH1A1TDP1TSHRERN1SMN1; SMN2
SCHEMBL196088 0.78 ERN1 (0.65) ALDH1A1TDP1TSHRERN1SMN1; SMN2

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

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025233837-A1 4H-PYRIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES FOR USE AS NLRP3 INFLAMMASOME INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-11-13 WO disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114560837-A Chromone compound and preparation method and application thereof 五邑大学 2022-05-31 CN disclosed
CN-108864058-A A kind of xanthone fluorochrome and application 成都必凯科技有限公司 2018-11-23 CN disclosed
CN-108853099-A A kind of polycyclic lactams compound alternatively purposes of the property Toll-like receptor antagonist in drug 成都必凯科技有限公司 2018-11-23 CN disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
CN-103097339-B Chalcone structure fluorescence dye for embryonic stem cell probe UNIV SINGAPORE 2015-05-27 CN disclosed
EP-2660238-B1 Compounds for the prevention and treatment of cardiovascular disease RESVERLOGIX CORP (CA) 2015-05-06 EP disclosed
US-4878938-A PRE- AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-07 US disclosed
EP-0280139-A2 Complex copper formazane compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP disclosed
US-4764204-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-08-16 US disclosed
US-4719203-A CALCIUM METABOLISM DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1988-01-12 US disclosed
EP-0150169-B1 A PROCESS FOR PREPARING SUBSTITUTED BENZOTRICHLORIDE COMPOUNDS Monsanto Company (US) 1987-11-11 EP disclosed
US-4705556-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-10 US disclosed
EP-0224751-A1 Diphosphonic-acid derivatives, process for preparing them and medicines containing these compounds Roche Diagnostics GmbH (DE) 1987-06-10 EP disclosed
US-4604131-A SULFONYLUREA COMPOUNDS; PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-05 US disclosed
US-4593144-A REACTING SUBSTITUTED BENZAL CHLORIDES WITH PRECHLOROALKANE IN PRESENCE OF BASE AND PHASE TRANSFER CATALYST MONSANTO COMPANY (US) 1986-06-03 US disclosed
EP-0150169-A2 A process for preparing substituted benzotrichloride compounds Monsanto Company (US) 1985-07-31 EP disclosed