SCHEMBL5300950

SCHEMBL5300950

N#Cc1ccc(-c2ccc(CCC(=O)Nc3ccsc3C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.50
POLB P06746 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPK8 P45983 3/20 0.44
MAPK10 P53779 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ABCC1 P33527 1/20 0.42
MAPT P10636 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK9 P45984 1/20 0.41
LTB4R Q15722 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
SCHEMBL5294312 0.89 HCAR2 (0.50) HCAR2POLBRAB9ASMN1; SMN2MEN1
SCHEMBL5292551 0.89 POLB (0.61) POLBRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL5296880 0.87 HCAR2 (0.57) HCAR2RAB9ANPC1MAPK8MAPK10
SCHEMBL5303240 0.84 RAB9A (0.56) HCAR2POLBRAB9ASMN1; SMN2MEN1
SCHEMBL5301758 0.79 HCAR2 (0.52) HCAR2HDAC1HDAC6
SCHEMBL5333224 0.79 HCAR2 (0.52) HCAR2RAB9AMEN1NPC1KMT2A
SCHEMBL5293254 0.79 MAPK8 (0.53) HCAR2POLBRAB9ASMN1; SMN2MEN1
SCHEMBL14609706 0.79 HCAR2 (0.53) HCAR2RAB9ANPC1MAPK8MAPK10
SCHEMBL5303546 0.78 MAPK8 (0.66) HCAR2RAB9ASMN1; SMN2MEN1NPC1
SCHEMBL14609517 0.77 HCAR2 (0.52) HCAR2RAB9ANPC1MAPK8MAPK10

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-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO claimed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed