SCHEMBL7659895

SCHEMBL7659895

COc1ccc(C(=O)C=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.56
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GABRA3 P34903 1/20 0.54
▸ GABRA2 P47869 1/20 0.54
▸ GABRB2 P47870 1/20 0.54
▸ MAOA P21397 3/20 0.54
▸ DPP4 P27487 3/20 0.54
▸ LMNA P02545 4/20 0.53
▸ MCL1 Q07820 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ATM Q13315 1/20 0.53

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
SCHEMBL7658638 0.83 MCL1 (0.64) MAOBMAPTSMN1; SMN2GABRA3GABRA2
SCHEMBL7659900 0.80 MAOB (0.56) MAOBMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL8848343 0.79 DBH (0.72) MAOBMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL8848346 0.79 DBH (0.72) MAOBMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL14306015 0.78 MAPT (0.74) MAOBMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL14305992 0.78 MAOB (0.67) MAOBMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL11292317 0.77 MAPT (0.61) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL25235120 0.75 MAPT (0.72) MAOBMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL20244282 0.75 MAOB (0.67) MAOBMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL25200295 0.75 MAPT (0.72) MAOBMAPTSMN1; SMN2ALDH1A1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6500846-B1 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE LG CHEMICAL, LTD. (KR) 2002-12-31 — — US disclosed
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 — — EP disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 — — WO disclosed
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