SCHEMBL8032791

SCHEMBL8032791

CCc1ccccc1-n1nnc(Sc2ncc(S(C)(=O)=O)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL8042803 0.80 MAPK8 (0.46) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8044870 0.78 ALDH1A1 (0.41) LOXL2ALDH1A1LMNATP53HTT
SCHEMBL8045845 0.78 TRPM8 (0.32) LOXL2
SCHEMBL8048224 0.77 RAB9A (0.39) LOXL2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8045225 0.76 KMT2A (0.46) ALDH1A1LMNATP53HTTSMN1; SMN2
SCHEMBL8045587 0.76
SCHEMBL8042935 0.76 NPC1 (0.40) SMN1; SMN2GRM5
SCHEMBL8034002 0.76 LOXL2 (0.32) LOXL2
SCHEMBL8047833 0.76 NPC1 (0.40) ALDH1A1TP53SMN1; SMN2
SCHEMBL8032788 0.75 PTGS2 (0.33) LOXL2

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