SCHEMBL7964540

SCHEMBL7964540

O=C(Nc1nccs1)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
SCD O00767 1/20 0.41
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7964322 0.84 NTRK1 (0.43) NPC1RAB9AKDM4EPKML3MBTL1
SCHEMBL7418872 0.82 NPC1 (0.42) NPC1RAB9AKDM4EPKMSMN1; SMN2
SCHEMBL7418952 0.82 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL7958240 0.81 IKBKE (0.41) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL7960418 0.80 NTRK1 (0.37) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL8873046 0.80 CHRNB2 (0.41) NPC1RAB9AKDM4EPKMHPGD
SCHEMBL7959855 0.80 LMNA (0.44) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL7961368 0.80 NTRK1 (0.39) NPC1RAB9AKDM4EPKMSMN1; SMN2
SCHEMBL7949786 0.79 NTRK1 (0.46) NPC1RAB9AKDM4EPKML3MBTL1
SCHEMBL7420930 0.79 NTRK1 (0.39) NPC1RAB9AKDM4EPKML3MBTL1

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-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