SCHEMBL8032747

SCHEMBL8032747

Cn1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.37
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
ALOX5 P09917 1/20 0.34
EIF4E P06730 1/20 0.33
CXCR3 P49682 1/20 0.32
PPARG P37231 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KIT P10721 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
TRPA1 O75762 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
XPO1 O14980 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL8050993 0.87 CTSS (0.36) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8050819 0.86 F2RL3 (0.36) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8033766 0.85 F2RL3 (0.36) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8050186 0.85 ATP4A (0.35) F2RL3ARMAPTALOX5CXCR3
SCHEMBL8045305 0.84 F2RL3 (0.35) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8045490 0.80 EIF4E (0.36) ARMAPTEIF4EMEN1KMT2A
SCHEMBL8048213 0.79 XPO1 (0.40) F2RL3MAPTEIF4EMEN1KMT2A
SCHEMBL8042227 0.79 MAPT (0.39) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8046511 0.79 HTT (0.45) F2RL3MAPTALOX5ABL1BCR
SCHEMBL8033189 0.78 RAB9A (0.38) ARALOX5EIF4EMEN1KMT2A

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