SCHEMBL8045225

SCHEMBL8045225

CCc1ccccc1-n1nnc(Sc2nc3ccc(S(C)(=O)=O)cc3s2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ELANE P08246 1/20 0.39
HPGD P15428 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
ACP1 P24666 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8048729 0.86 ELANE (0.47) KMT2ALMNATP53MAPTHTT
SCHEMBL8043966 0.85 MAPT (0.52) KMT2ALMNATP53MAPTHTT
SCHEMBL8046514 0.84 LMNA (0.44) KMT2ALMNATP53MAPTSMN1; SMN2
SCHEMBL8041873 0.83 SMN1; SMN2 (0.45) KMT2ALMNATP53MAPTHTT
SCHEMBL8041814 0.82 KMT2A (0.43) KMT2ALMNATP53MAPTHTT
SCHEMBL8044433 0.81 KMT2A (0.47) KMT2ALMNATP53MAPTHTT
SCHEMBL8047172 0.81 SMN1; SMN2 (0.44) KMT2ALMNATP53MAPTHTT
SCHEMBL8045286 0.80 KMT2A (0.46) KMT2ALMNATP53MAPTHTT
SCHEMBL8043141 0.79 SMN1; SMN2 (0.42) KMT2ALMNATP53MAPTHTT
SCHEMBL8045221 0.79 ALDH1A1 (0.45) KMT2ALMNATP53MAPTHTT

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