SCHEMBL8396283

SCHEMBL8396283

CCOc1cccc(NCc2nc3ccc(F)c(F)c3s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.45
GPX4 P36969 1/20 0.41
RPS6KA2 Q15349 1/20 0.39
HDAC4 P56524 2/20 0.38
MEF2D Q14814 2/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL8399257 0.86 SYK (0.44) SYKGPX4RPS6KA2HDAC4MEF2D
SCHEMBL8396597 0.83 NOS1 (0.43) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL8398181 0.83 AKR1B1 (0.44) SYKGPX4RPS6KA2HDAC4MEF2D
SCHEMBL8398153 0.83 SYK (0.44) SYKGPX4RPS6KA2HDAC4MEF2D
SCHEMBL8395544 0.82 GAA (0.43) SYKMAPTKMT2AMEN1ALDH1A1
SCHEMBL8396076 0.82 MEN1 (0.34) HDAC4MEF2DMAPTKMT2AMEN1
SCHEMBL8395427 0.81 EGFR (0.38) MAPTKMT2AMEN1NPC1
SCHEMBL8399066 0.81 CYP1A2 (0.35) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8399268 0.79 SMN1; SMN2 (0.37) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL8397890 0.78 RAB9A (0.37) MAPTNPC1POLBRAB9ASMN1; SMN2

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
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed