SCHEMBL7420636

SCHEMBL7420636

COc1cccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.46
NLRP3 Q96P20 1/20 0.46
TP53 P04637 2/20 0.45
GRM4 Q14833 1/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7960446 0.89 RAB9A (0.57) SMN1; SMN2RAB9AMAPK1LMNAKMT2A
SCHEMBL7949930 0.86 MAPT (0.54) SMN1; SMN2RAB9AMAPK1LMNAKMT2A
SCHEMBL7415683 0.86 RAB9A (0.42) SMN1; SMN2RAB9AMAPK1KMT2AMEN1
SCHEMBL7418952 0.86 RAB9A (0.44) SMN1; SMN2RAB9ALMNAKMT2AGAA
SCHEMBL7418016 0.85 KMT2A (0.51) SMN1; SMN2RAB9ALMNAKMT2AMEN1
SCHEMBL7958034 0.85 MEN1 (0.44) SMN1; SMN2RAB9ALMNAKMT2AMEN1
SCHEMBL6219646 0.84 LMNA (0.44) SMN1; SMN2RAB9ARXFP1LMNAGAA
SCHEMBL6220101 0.84 LMNA (0.43) SMN1; SMN2RAB9ARXFP1LMNAMITF
SCHEMBL6221743 0.84 LMNA (0.44) SMN1; SMN2RAB9ARXFP1LMNAGAA
Hydrochloric Acid SCHEMBL6225831 0.84 LMNA (0.43) SMN1; SMN2RAB9ARXFP1LMNAGAA

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 4 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
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