SCHEMBL8044077

SCHEMBL8044077

Cc1nc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.37
IKBKB O14920 1/20 0.37
EIF4E P06730 1/20 0.35
ALOX5 P09917 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
CXCR3 P49682 1/20 0.32
MAPK1 P28482 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
CTSS P25774 1/20 0.31

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
SCHEMBL8033843 0.79 ALOX5 (0.35) PPARGMAPTNPSR1KMT2AEIF4E
SCHEMBL8032725 0.78 PPARG (0.44) PPARGMAPTKMT2ARAB9ANPC1
SCHEMBL8050307 0.78 HTR1A (0.47) MAPTKMT2ARAB9ANPC1KDM4E
SCHEMBL8042665 0.77 MAPT (0.41) PPARGMAPTKMT2AEIF4EALOX5
SCHEMBL8045613 0.75 RAB9A (0.44) MAPTKMT2AALOX5RAB9ANPC1
SCHEMBL8032747 0.75 F2RL3 (0.37) PPARGMAPTKMT2AEIF4EALOX5
SCHEMBL13997536 0.75 MAPT (0.60) MAPTKMT2AALOX5RAB9ANPC1
SCHEMBL8050819 0.74 F2RL3 (0.36) PPARGMAPTKMT2AEIF4EALOX5
SCHEMBL8050615 0.73 ALOX5 (0.35) PPARGMAPTKMT2AIKBKBEIF4E
SCHEMBL8033766 0.73 F2RL3 (0.36) PPARGMAPTEIF4EALOX5CXCR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed