SCHEMBL8034005

SCHEMBL8034005

CS(=O)(=O)c1cnc(Sc2nnn(CC(=O)O)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SCD O00767 6/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8034002 0.83 LOXL2 (0.32) RECQL
SCHEMBL8048224 0.82 RAB9A (0.39) LMNAALDH1A1KDM4EHTT
SCHEMBL8044527 0.81 RAB9A (0.35) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL8046142 0.81 RXRA (0.38) MEN1KMT2ARECQLSCD
SCHEMBL8037025 0.81 MEN1 (0.37) MEN1KMT2ASCD
SCHEMBL8032788 0.80 PTGS2 (0.33) KMT2AKDM4E
SCHEMBL8045587 0.79
SCHEMBL8050401 0.78 KMT2A (0.36) KMT2ALMNATP53ALDH1A1HTT
SCHEMBL8044469 0.77 MAPK8 (0.46) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL8044693 0.76

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