SCHEMBL8046571

SCHEMBL8046571

CCCc1nnc(Sc2nc3ccc(S(C)(=O)=O)cc3s2)s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 6/20 0.43
ACP1 P24666 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
CLK1 P49759 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ILK Q13418 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL8042929 0.94 PKM (0.44) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8046298 0.91 PKM (0.47) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8044136 0.90 PKM (0.44) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8049853 0.87 PKM (0.46) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8042663 0.87 ACP1 (0.44) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8044317 0.87 KMT2A (0.48) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8050213 0.85 PKM (0.44) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8050169 0.85 ALDH1A1 (0.45) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8045974 0.84 ALDH1A1 (0.47) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8043158 0.84 PKM (0.46) PKMKMT2ASMN1; SMN2LMNATP53

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