SCHEMBL8046557

SCHEMBL8046557

CCc1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EIF4E P06730 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTA4H P09960 2/20 0.32
CXCR3 P49682 1/20 0.32
MAPK14 Q16539 1/20 0.31
AR P10275 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8048125 0.91 CTSK (0.41) CTSSCTSKMAPTALOX5F2RL3
SCHEMBL8050843 0.90 CTSS (0.38) CTSSCTSKMAPTALOX5F2RL3
SCHEMBL8033655 0.88 EIF4E (0.34) CTSSCTSKMAPTALOX5F2RL3
SCHEMBL8048151 0.87 F2RL3 (0.37) CTSSCTSKMAPTALOX5F2RL3
SCHEMBL8044775 0.86 EIF4E (0.33) CTSSCTSKMAPTALOX5F2RL3
SCHEMBL8033608 0.84 EIF4E (0.40) KMT2AALDH1A1MEN1EIF4EL3MBTL1
SCHEMBL8042665 0.84 MAPT (0.41) CTSSCTSKMAPTALOX5F2RL3
SCHEMBL8048108 0.83 KMT2A (0.40) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL8046645 0.83 ALDH1A1 (0.39) ALOX5KMT2AALDH1A1MEN1EIF4E
SCHEMBL8043455 0.83 LTA4H (0.42) ALOX5KMT2AALDH1A1MEN1EIF4E

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