SCHEMBL4733201

SCHEMBL4733201

O=C(CCSc1ccccn1)Nc1c(Br)cc(Br)cc1C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
SORT1 Q99523 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
SCHEMBL4736542 0.89 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4737383 0.78 NPC1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4737093 0.77 RAB9A (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4849787 0.76 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4737760 0.75 GRIK1 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4735004 0.75 NPC1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4738643 0.73 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4957641 0.70 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4736482 0.70 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL433102 0.70 ALDH1A1 (1.00) SMN1; SMN2NPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO claimed
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed