SCHEMBL8042929

SCHEMBL8042929

CCCCc1nnc(Sc2nc3ccc(S(C)(=O)=O)cc3s2)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 7/20 0.42
ACP1 P24666 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
CLK1 P49759 2/20 0.40
CA2 P00918 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSP90AA1 P07900 1/20 0.40
TSHR P16473 1/20 0.40
ILK Q13418 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
SCHEMBL8046571 0.94 PKM (0.45) PKMSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8046298 0.90 PKM (0.47) PKMSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8044136 0.89 PKM (0.44) PKMSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8049853 0.86 PKM (0.46) PKMSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8042663 0.86 ACP1 (0.44) PKMSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8044317 0.86 KMT2A (0.48) PKMSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8050213 0.84 PKM (0.44) PKMSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8050169 0.84 ALDH1A1 (0.45) PKMSMN1; SMN2KMT2ALMNATP53
SCHEMBL8045974 0.83 ALDH1A1 (0.47) PKMSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8043158 0.83 PKM (0.46) PKMSMN1; SMN2KMT2ALMNAHTT

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