SCHEMBL7411535

SCHEMBL7411535

O=C(Nc1ccc(Cl)cc1)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
RAB9A P51151 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 2/20 0.55
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
GABRD O14764 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA4 P48169 1/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.42
TUBB4A P04350 1/20 0.41

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
SCHEMBL7959855 0.91 LMNA (0.44) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7418952 0.91 RAB9A (0.44) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7961855 0.89 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7416321 0.89 MAPT (0.47) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7418016 0.89 KMT2A (0.51) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7958240 0.88 IKBKE (0.41) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7412773 0.87 LMNA (0.41) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7960446 0.86 RAB9A (0.57) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7964564 0.86 USP2 (0.51) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL7673411 0.86 HRH3 (0.48) SMN1; SMN2RAB9ANPC1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
EP-0656002-A1 3-OXO-PYRIDO(1,2-A -)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A -)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1995-06-07 EP claimed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO disclosed