SCHEMBL8043189

SCHEMBL8043189

CS(=O)(=O)c1ccc2nc(Sc3nnn[nH]3)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ILK Q13418 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ACP1 P24666 1/20 0.41
GAA P10253 1/20 0.41
CLK1 P49759 3/20 0.40
HSP90AA1 P07900 1/20 0.39
TSHR P16473 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
SCHEMBL8033671 0.79 PDK1 (0.62) KMT2ASMN1; SMN2LMNAHTTMAPT
SCHEMBL8711417 0.78 LMNA (0.45) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8046109 0.77 KDM4E (0.47) PKMKMT2ASMN1; SMN2LMNATP53
SCHEMBL8713309 0.77 KMT2A (0.41) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8044884 0.77 PKM (0.50) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8032835 0.76 PKM (0.47) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8043738 0.76 ILK (0.51) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8046237 0.76 PKM (0.52) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8033856 0.75 PKM (0.46) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8051506 0.75 ALDH1A1 (0.53) PKMKMT2ASMN1; SMN2LMNAHTT

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