SCHEMBL8043331

SCHEMBL8043331

Cc1ccc(-n2nnnc2Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
HTT P42858 3/20 0.33
PAX8 Q06710 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
LMNA P02545 4/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CXCR3 P49682 1/20 0.32
ALOX5 P09917 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL8032798 0.88 KDM4E (0.32) MAPTHTTPAX8PIP4K2CKDM4E
SCHEMBL8041803 0.86 MAPT (0.34) MAPTHTTPAX8PIP4K2CLMNA
SCHEMBL8041970 0.84 EIF4E (0.40) MAPTHTTLMNAKMT2AMEN1
SCHEMBL8044497 0.84 HTT (0.33) MAPTHTTPAX8PIP4K2CKMT2A
SCHEMBL8047340 0.83 ALDH1A1 (0.40) MAPTHTTLMNAKMT2AKDM4E
SCHEMBL8043200 0.81 ALDH1A1 (0.43) MAPTHTTLMNAKMT2AKDM4E
SCHEMBL8043194 0.81 KMT2A (0.43) MAPTHTTPIP4K2CLMNAKMT2A
SCHEMBL8050841 0.80 ALDH1A1 (0.37) MAPTHTTPAX8PIP4K2CLMNA
SCHEMBL8050838 0.80 KDM4E (0.36) MAPTHTTPAX8PIP4K2CLMNA
SCHEMBL8033936 0.80 ALDH1A1 (0.42) MAPTHTTPAX8PIP4K2CLMNA

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