SCHEMBL7418016

SCHEMBL7418016

O=C(Nc1cccc(Cl)c1)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
FADS1 O60427 1/20 0.43
GRM4 Q14833 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 3/20 0.43
AHR P35869 1/20 0.41
CD38 P28907 1/20 0.41
P2RX1 P51575 1/20 0.40
P2RX4 Q99571 1/20 0.40
P2RX7 Q99572 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7411535 0.89 SMN1; SMN2 (0.55) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7418952 0.88 RAB9A (0.44) KMT2ARAB9ASMN1; SMN2GAALMNA
SCHEMBL7415629 0.85 TMPRSS4 (0.40) MAPTALDH1A1RAB9ANPC1
SCHEMBL7958034 0.85 MEN1 (0.44) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7420636 0.85 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7959855 0.84 LMNA (0.44) KMT2AMAPTRAB9ASMN1; SMN2GAA
SCHEMBL7958240 0.83 IKBKE (0.41) KMT2AMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL7949796 0.82 RAB9A (0.44) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7416321 0.82 MAPT (0.47) KMT2AMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL7418614 0.82 EPHB3 (0.54) RAB9ANPC1

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 6 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
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