SCHEMBL8044727

SCHEMBL8044727

O=[N+]([O-])c1ccc(-c2nnc(S)s2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 4/20 0.40
MGAM O43451 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
NPBWR1 P48145 1/20 0.40
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
PDE7A Q13946 2/20 0.39
PKM P14618 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7B Q9NP56 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
SCHEMBL968868 0.84 GAA (0.44) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL28511776 0.83 ALDH1A1 (0.61) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL4414586 0.80 HSD17B10 (0.44) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL970105 0.77 MGAM (0.43) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL29678599 0.77 ALDH1A1 (0.65) HSD17B10ALDH1A1MAPTKMT2APOLB
SCHEMBL10405791 0.76 HSD17B10 (0.72) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL968285 0.75 MGAM (0.66) MAPTKMT2AMEN1GAAMGAM
SCHEMBL967793 0.74 MGAM (0.69) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL968154 0.71 MGAM (0.43) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL966960 0.71 MGAM (0.50) HSD17B10ALDH1A1MAPTKMT2AMEN1

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