SCHEMBL8399262

SCHEMBL8399262

Cc1ccc(NCc2nc3cc(F)cc(F)c3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.40
MAPT P10636 4/20 0.38
AURKA O14965 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
CDK8 P49336 1/20 0.37
MAP2K1 Q02750 1/20 0.37
MAP4K2 Q12851 1/20 0.37
ROCK1 Q13464 1/20 0.37
NTRK3 Q16288 1/20 0.37
MAPK14 Q16539 1/20 0.37

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 0.91 AKR1B1 (0.39) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8400483 0.87 AKR1B1 (0.44) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8395435 0.87 AKR1B1 (0.38) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8399351 0.86 AKR1B1 (0.46) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8396655 0.86 HDAC6 (0.50) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8399269 0.82 MAPT (0.38) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8399274 0.82 MEN1 (0.34) AKR1B1SMN1; SMN2NPC1L3MBTL1HTT
SCHEMBL8399113 0.82 NOS1 (0.44) AKR1B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8399195 0.80 MAPT (0.39) MAPTAURKAABL1NTRK1LCK
SCHEMBL8396268 0.80 AKR1B1 (0.41) AKR1B1MAPTSMN1; SMN2NPC1RAB9A

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