SCHEMBL4749608

SCHEMBL4749608

COC(=O)c1ccsc1NC(=O)CCSc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4749278 0.88 NPC1 (0.55) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL4752214 0.87 L3MBTL1 (0.66) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL4749629 0.82 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL4751468 0.81 MAPK8 (0.64) RAB9AALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL4737934 0.81 L3MBTL1 (0.76) RAB9AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL23413572 0.78 NPC1 (0.76) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4752212 0.77 NPC1 (0.67) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL5061069 0.77 RAB9A (0.86) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL4751921 0.76 L3MBTL1 (0.54) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL4751453 0.76 L3MBTL1 (0.64) NPC1RAB9AKDM4EALDH1A1L3MBTL1

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-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO claimed
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed