SCHEMBL8050993

SCHEMBL8050993

CCCn1nnc(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
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
AR P10275 1/20 0.33
XPO1 O14980 1/20 0.33
MAPT P10636 1/20 0.33
CXCR3 P49682 1/20 0.33
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
EIF4E P06730 1/20 0.32
TRPA1 O75762 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
LTA4H P09960 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL8050186 0.93 ATP4A (0.35) CTSSCTSKF2RL3ARXPO1
SCHEMBL8050819 0.93 F2RL3 (0.36) CTSSCTSKF2RL3ARXPO1
SCHEMBL8032747 0.87 F2RL3 (0.37) CTSSCTSKF2RL3ARXPO1
SCHEMBL8045490 0.84 EIF4E (0.36) ARMAPTEIF4ELTA4HHTR1A
SCHEMBL8048213 0.83 XPO1 (0.40) F2RL3XPO1MAPTITGB2ICAM1
SCHEMBL8033766 0.82 F2RL3 (0.36) CTSSCTSKF2RL3ARMAPT
SCHEMBL8033189 0.82 RAB9A (0.38) ARALOX5EIF4ELTA4HHTR1A
SCHEMBL8045305 0.81 F2RL3 (0.35) F2RL3ARXPO1MAPTCXCR3
SCHEMBL8044430 0.81 CTSS (0.34) CTSSCTSKF2RL3MAPTCXCR3
SCHEMBL8034092 0.81 HTR1A (0.49) ARMAPTTDP1HTR1AHTR2A

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