SCHEMBL8051863

SCHEMBL8051863

Cn1c(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)nnc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
ALOX5 P09917 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
EIF4E P06730 1/20 0.32
TRPA1 O75762 4/20 0.31
AR P10275 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
CXCR3 P49682 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
SCHEMBL8042227 0.86 MAPT (0.39) MAPTALOX5F2RL3MEN1KMT2A
SCHEMBL8051217 0.83 EIF4E (0.36) MAPTALOX5MEN1KMT2AEIF4E
SCHEMBL8032515 0.81 HTR1A (0.43) MAPTMEN1KMT2ATDP1
SCHEMBL8033982 0.79 KDM4E (0.50) MAPTMEN1KMT2A
SCHEMBL8044780 0.79 RAB9A (0.41) MAPTALOX5MEN1KMT2ATDP1
SCHEMBL8043093 0.79 SMN1; SMN2 (0.38) MAPTALOX5F2RL3TDP1EIF4E
SCHEMBL8046511 0.79 HTT (0.45) MAPTALOX5F2RL3MEN1KMT2A
SCHEMBL8045256 0.77 MAPT (0.35) MAPTALOX5F2RL3CNR1CNR2
SCHEMBL8043997 0.75 MAPT (0.35) MAPTALOX5F2RL3MEN1KMT2A
SCHEMBL8032747 0.75 F2RL3 (0.37) MAPTALOX5F2RL3MEN1KMT2A

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