SCHEMBL8713628

SCHEMBL8713628

CCc1ccc(-n2nnnc2Sc2nc(C(F)(F)F)c(C(=O)O)s2)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.30
RECQL P46063 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
SCHEMBL8043090 0.87 MAPT (0.35) ALDH1A1MAPTTP53MAPK1LMNA
SCHEMBL8032375 0.85 ALDH1A1 (0.33) ALDH1A1MAPTTP53MAPK1LMNA
SCHEMBL8042297 0.83 ALDH1A1 (0.40) ALDH1A1MAPTTP53MAPK1LMNA
SCHEMBL8034587 0.82 RECQL (0.37) ALDH1A1MAPTMAPK1LMNAHTT
SCHEMBL8033650 0.81 ALDH1A1 (0.34) ALDH1A1MAPTTP53MAPK1LMNA
SCHEMBL8043982 0.81 ALDH1A1 (0.47) ALDH1A1MAPTTP53MAPK1LMNA
SCHEMBL8032724 0.80 MAPT (0.33) ALDH1A1MAPTTP53MAPK1LMNA
SCHEMBL8033964 0.79 SMN1; SMN2 (0.39) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL8049019 0.79 RECQL (0.47) ALDH1A1MAPTTP53MAPK1LMNA
SCHEMBL8046748 0.78 RECQL (0.39) ALDH1A1MAPTTP53MAPK1LMNA

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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed