SCHEMBL8032471

SCHEMBL8032471

COc1ccc(-n2nnnc2Sc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.52
MAPK9 P45984 3/20 0.52
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 5/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
NPC1 O15118 1/20 0.42
S1PR4 O95977 1/20 0.42
HSP90AA1 P07900 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7851683 0.95 MAPK8 (0.48) MAPK8MAPK9KDM4EALDH1A1HPGD
SCHEMBL8046323 0.88 ALDH1A1 (0.50) MAPK8MAPK9ALDH1A1HPGDHSD17B10
SCHEMBL8048168 0.86 ALDH1A1 (0.45) MAPK8MAPK9ALDH1A1HPGDHSD17B10
SCHEMBL8034759 0.86 MAPT (0.47) MAPK8MAPK9ALDH1A1HPGDSMN1; SMN2
SCHEMBL8045048 0.86 MAPT (0.47) MAPK8MAPK9ALDH1A1HPGDSMN1; SMN2
SCHEMBL8049908 0.86 ALDH1A1 (0.47) MAPK8MAPK9ALDH1A1HPGDHSD17B10
SCHEMBL8044886 0.86 MAPK8 (0.51) MAPK8MAPK9ALDH1A1HPGDSMN1; SMN2
SCHEMBL8046704 0.85 ALDH1A1 (0.60) MAPK8MAPK9KDM4EALDH1A1HPGD
SCHEMBL8050651 0.85 MAPT (0.44) MAPK8MAPK9ALDH1A1SMN1; SMN2HTT
SCHEMBL8032487 0.85 ALDH1A1 (0.44) MAPK8MAPK9ALDH1A1HPGDHSD17B10

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