SCHEMBL8045256

SCHEMBL8045256

CC(C)(C)n1nnnc1Sc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HTT P42858 2/20 0.34
PAX8 Q06710 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
ALOX5 P09917 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
EIF4E P06730 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CXCR3 P49682 1/20 0.31
LTA4H P09960 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL8046511 0.86 HTT (0.45) MAPTHTTPAX8PIP4K2CALOX5
SCHEMBL8048290 0.84 MAPT (0.35) MAPTHTTPAX8PIP4K2CALOX5
SCHEMBL8032734 0.83 ALDH1A1 (0.37) MAPTHTTPAX8PIP4K2CALOX5
SCHEMBL8044430 0.81 CTSS (0.34) MAPTHTTPAX8PIP4K2CALOX5
SCHEMBL8032494 0.81 HTR1A (0.43) MAPTHTTALDH1A1KDM4E
SCHEMBL8043192 0.79 ALDH1A1 (0.35) MAPTHTTPAX8PIP4K2CALDH1A1
SCHEMBL8043200 0.79 ALDH1A1 (0.43) MAPTHTTALDH1A1L3MBTL1KDM4E
SCHEMBL8050228 0.79 RAB9A (0.41) MAPTHTTPIP4K2CALDH1A1L3MBTL1
SCHEMBL8033766 0.78 F2RL3 (0.36) MAPTALOX5F2RL3EIF4EAR
SCHEMBL8050838 0.78 KDM4E (0.36) MAPTHTTPAX8PIP4K2CALDH1A1

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