SCHEMBL7412773

SCHEMBL7412773

O=CNc1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NTRK1 P04629 2/20 0.37
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37

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 0.89 LMNA (0.44) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7418952 0.89 RAB9A (0.44) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7961855 0.87 SMN1; SMN2 (0.55) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7411535 0.87 SMN1; SMN2 (0.55) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7416321 0.87 MAPT (0.47) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7960446 0.84 RAB9A (0.57) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7964564 0.84 USP2 (0.51) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7415153 0.83 MAPT (0.44) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7673411 0.82 HRH3 (0.48) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL7359145 0.82 METTL3 (0.42) LMNAGLASMN1; SMN2RAB9ANPC1

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
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
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 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