SCHEMBL8399274

SCHEMBL8399274

CCCSc1ccc(NCc2nc3cc(F)cc(F)c3s2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
AKR1B1 P15121 6/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC6 Q9UBN7 1/20 0.32
REN P00797 1/20 0.32
ALOX5 P09917 1/20 0.31
EPHX2 P34913 1/20 0.31
ABCB1 P08183 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
LDHA P00338 1/20 0.30

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
SCHEMBL8395489 0.83 AKR1B1 (0.39) MEN1KMT2AHTTSMN1; SMN2AKR1B1
SCHEMBL8395540 0.83 LDHA (0.31) MEN1KMT2AHTTSMN1; SMN2HIF1A
SCHEMBL8397057 0.82 AKR1B1 (0.39) AKR1B1
SCHEMBL8399269 0.82 MAPT (0.38) SMN1; SMN2AKR1B1NPC1L3MBTL1
SCHEMBL8399262 0.82 AKR1B1 (0.40) MEN1KMT2AHTTSMN1; SMN2AKR1B1
SCHEMBL8400483 0.80 AKR1B1 (0.44) MEN1KMT2ASMN1; SMN2AKR1B1NPC1
SCHEMBL8395435 0.80 AKR1B1 (0.38) MEN1KMT2AHTTSMN1; SMN2AKR1B1
SCHEMBL8399351 0.80 AKR1B1 (0.46) SMN1; SMN2AKR1B1NPC1TRPM5
SCHEMBL8396655 0.79 HDAC6 (0.50) MEN1KMT2ASMN1; SMN2AKR1B1NPC1
SCHEMBL8400189 0.76 AKR1B1 (0.36) AKR1B1

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