SCHEMBL8043997

SCHEMBL8043997

CC(C)(C)c1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
ALOX5 P09917 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
EIF4E P06730 1/20 0.33
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31
CXCR3 P49682 1/20 0.31
ALDH1A1 P00352 3/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LTA4H P09960 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL8051771 0.91 ALOX5 (0.36) MAPTALOX5F2RL3CTSSCTSK
SCHEMBL8042665 0.85 MAPT (0.41) MAPTALOX5F2RL3CTSSCTSK
SCHEMBL8034012 0.83 LTA4H (0.37) MAPTALOX5F2RL3EIF4EMYC
SCHEMBL8044824 0.81 MAPT (0.34) MAPTALOX5F2RL3CTSSCTSK
SCHEMBL8046557 0.81 CTSS (0.35) MAPTALOX5F2RL3CTSSCTSK
SCHEMBL8048125 0.80 CTSK (0.41) MAPTALOX5F2RL3CTSSCTSK
SCHEMBL8048751 0.79 RAB9A (0.48) MAPTALDH1A1ARKDM4EMEN1
SCHEMBL8033655 0.79 EIF4E (0.34) MAPTALOX5F2RL3CTSSCTSK
SCHEMBL8048151 0.79 F2RL3 (0.37) MAPTALOX5F2RL3CTSSCTSK
SCHEMBL8050843 0.79 CTSS (0.38) MAPTALOX5F2RL3CTSSCTSK

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