SCHEMBL4752200

SCHEMBL4752200

O=C(CSc1ccc(Br)cc1)Nc1sccc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
PTPN2 P17706 1/20 0.50
PTPRB P23467 1/20 0.50
PTPN6 P29350 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4753019 0.86 ALDH1A1 (0.53) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL4749265 0.80 ALDH1A1 (0.58) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL4736437 0.77 KMT2A (0.81) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL5330760 0.77 HCAR2 (0.72) RAB9ASMN1; SMN2NPC1POLBPTPN2
SCHEMBL4736482 0.76 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL17826401 0.75 RAB9A (0.53) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL4789026 0.75 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL4752214 0.75 L3MBTL1 (0.66) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL4751453 0.74 L3MBTL1 (0.64) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL4751921 0.74 L3MBTL1 (0.54) RAB9ASMN1; SMN2NPC1POLBALDH1A1

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 1 patent. 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 disclosed