SCHEMBL8399195

SCHEMBL8399195

Cc1ccc(NCc2nc3ccc(F)c(F)c3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAP4K2 Q12851 1/20 0.38
ROCK1 Q13464 1/20 0.38
NTRK3 Q16288 1/20 0.38
MAPK14 Q16539 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL8397890 0.89 RAB9A (0.37) MAPTAURKAABL1NTRK1LCK
SCHEMBL8399428 0.88 MEN1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8396660 0.86 MEN1 (0.36) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL8399066 0.86 CYP1A2 (0.35) MAPTPIM1ALDH1A1NPC1RAB9A
SCHEMBL8398930 0.86 HDAC6 (0.48) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL8399268 0.82 SMN1; SMN2 (0.37) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL8395540 0.82 LDHA (0.31) SMN1; SMN2TP53HTTLMNAMEN1
SCHEMBL8399262 0.80 AKR1B1 (0.40) MAPTAURKAABL1NTRK1LCK
SCHEMBL8396597 0.79 NOS1 (0.43) MAPTMAPK14ALDH1A1NPC1RAB9A
SCHEMBL8398164 0.79 ADRA2C (0.40) MAPTMAPK14ALDH1A1NPC1RAB9A

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