SCHEMBL8048290

SCHEMBL8048290

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

nearest known ligand 0.35

Predicted protein targets (top 20)

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
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
GCGR P47871 1/20 0.32
GIPR P48546 1/20 0.32
EIF4E P06730 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
XPO1 O14980 1/20 0.31
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
AR P10275 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 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
SCHEMBL8046511 0.86 HTT (0.45) MAPTHTTPAX8PIP4K2CALOX5
SCHEMBL8045256 0.84 MAPT (0.35) MAPTHTTPAX8PIP4K2CKDM4E
SCHEMBL8032734 0.83 ALDH1A1 (0.37) MAPTHTTPAX8PIP4K2CKDM4E
SCHEMBL8044430 0.81 CTSS (0.34) MAPTHTTPAX8PIP4K2CKDM4E
SCHEMBL8051103 0.81 RAB9A (0.44) MAPTHTTKDM4ECYP1A2CYP2C19
SCHEMBL8050838 0.80 KDM4E (0.36) MAPTHTTPAX8PIP4K2CKDM4E
SCHEMBL8041803 0.80 MAPT (0.34) MAPTHTTPAX8PIP4K2CKDM4E
SCHEMBL8043192 0.79 ALDH1A1 (0.35) MAPTHTTPAX8PIP4K2CKDM4E
SCHEMBL8045305 0.79 F2RL3 (0.35) MAPTALOX5F2RL3EIF4EXPO1
SCHEMBL8043200 0.79 ALDH1A1 (0.43) MAPTHTTKDM4EPOLBALDH1A1

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