SCHEMBL8399257

SCHEMBL8399257

CCOc1cccc(NCc2nc3cc(F)cc(F)c3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.44
RPS6KA2 Q15349 1/20 0.40
GPX4 P36969 1/20 0.40
MAPT P10636 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CSNK2A1 P68400 2/20 0.38
HDAC4 P56524 2/20 0.37
MEF2D Q14814 2/20 0.37
PTGER2 P43116 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR3C1 P04150 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
SCHEMBL8396283 0.86 SYK (0.45) SYKRPS6KA2GPX4MAPTRXFP1
SCHEMBL8399113 0.84 NOS1 (0.44) MAPTMEN1NPC1POLBRAB9A
SCHEMBL8398181 0.83 AKR1B1 (0.44) SYKRPS6KA2GPX4HDAC4MEF2D
SCHEMBL8400189 0.81 AKR1B1 (0.36) HDAC4MEF2DAKR1B1
SCHEMBL8399351 0.81 AKR1B1 (0.46) MAPTNPC1RAB9ASMN1; SMN2AKR1B1
SCHEMBL8399092 0.81 AKR1B1 (0.38) AKR1B1
SCHEMBL8395489 0.80 AKR1B1 (0.39) MAPTMEN1NPC1POLBRAB9A
SCHEMBL8399269 0.79 MAPT (0.38) MAPTTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL8399262 0.77 AKR1B1 (0.40) MAPTTDP1MEN1NPC1POLB
SCHEMBL8398153 0.76 SYK (0.44) SYKRPS6KA2GPX4MAPTRXFP1

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