SCHEMBL8399104

SCHEMBL8399104

Cc1ccc(NCc2nc3c(F)c(F)ccc3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 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
SCHEMBL8398879 0.89 AKR1B1 (0.37) MAPTAURKAABL1NTRK1LCK
SCHEMBL8396300 0.88 MEN1 (0.43) MAPTPIM1ALDH1A1TRPM5HDAC6
SCHEMBL8400236 0.86 HDAC6 (0.36) MAPTPIM1ALDH1A1TRPM5HTT
SCHEMBL8398085 0.86 AKR1B1 (0.44) MAPTPIM1ALDH1A1AKR1B1LMNA
SCHEMBL8395223 0.86 HDAC6 (0.51) MAPTALDH1A1TRPM5HTTHDAC6
SCHEMBL8399216 0.80 AKR1B1 (0.44) AKR1B1
SCHEMBL8395622 0.79 KDM4E (0.41) MAPTPIM1MAPK14ALDH1A1HTT
SCHEMBL8399039 0.79 ADRA2C (0.40) MAPTALDH1A1HTTAKR1B1LMNA
SCHEMBL8398024 0.78 MEN1 (0.44) MAPTALDH1A1TRPM5HTTHDAC6
SCHEMBL8399195 0.78 MAPT (0.39) MAPTAURKAABL1NTRK1LCK

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