SCHEMBL8396597

SCHEMBL8396597

Fc1cccc(NCc2nc3ccc(F)c(F)c3s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK3 Q00526 1/20 0.40
TSHR P16473 1/20 0.40
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TGFBR1 P36897 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8395544 0.89 GAA (0.43) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL8395427 0.88 EGFR (0.38) MEN1KMT2ANPC1MAPTERBB2
SCHEMBL8399066 0.87 CYP1A2 (0.35) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8397890 0.84 RAB9A (0.37) SMN1; SMN2NPC1RAB9AALDH1A1CCNE1
SCHEMBL8396283 0.83 SYK (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8396076 0.83 MEN1 (0.34) NOS1MEN1KMT2AMAPT
SCHEMBL8399113 0.83 NOS1 (0.44) NOS1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8399428 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL8395622 0.80 KDM4E (0.41) NOS1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8395603 0.80 AKR1B1 (0.47) NOS1MEN1KMT2ASMN1; SMN2HPGD

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