SCHEMBL8050819

SCHEMBL8050819

CCn1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34
XPO1 O14980 1/20 0.34
ALOX5 P09917 1/20 0.34
CXCR3 P49682 1/20 0.34
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
EIF4E P06730 1/20 0.32
LTA4H P09960 2/20 0.32
PPARG P37231 1/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
HTR2A P28223 1/20 0.32
DRD2 P14416 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 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
SCHEMBL8050993 0.93 CTSS (0.36) F2RL3CTSSCTSKARMAPT
SCHEMBL8050186 0.91 ATP4A (0.35) F2RL3CTSSCTSKARMAPT
SCHEMBL8032747 0.86 F2RL3 (0.37) F2RL3CTSSCTSKARMAPT
SCHEMBL8045305 0.86 F2RL3 (0.35) F2RL3ARMAPTXPO1ALOX5
SCHEMBL8048213 0.85 XPO1 (0.40) F2RL3MAPTXPO1ITGB2ICAM1
SCHEMBL8033766 0.84 F2RL3 (0.36) F2RL3CTSSCTSKARMAPT
SCHEMBL8033189 0.84 RAB9A (0.38) ARALOX5EIF4ELTA4HHTR1A
SCHEMBL8045490 0.83 EIF4E (0.36) ARMAPTEIF4ELTA4HHTR1A
SCHEMBL8032734 0.80 ALDH1A1 (0.37) F2RL3CTSSCTSKARMAPT
SCHEMBL8051868 0.78 HTR1A (0.52) ARMAPTHTR1AHTR7HTR2A

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