SCHEMBL6795094

SCHEMBL6795094

CS(=O)(=O)c1sc(C(=O)c2ccc([N+](=O)[O-])cc2)c(N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MELK Q14680 1/20 0.43
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6796039 0.83 ALDH1A1 (0.58) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL633714 0.73 MAPT (0.44) MEN1KMT2APOLBRAB9AMAPK1
SCHEMBL2133610 0.73 ALDH1A1 (0.65) MEN1KMT2APOLBRAB9AMAPK1
SCHEMBL7054378 0.65 GRIA2 (0.39) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL10723714 0.64 SRD5A2 (0.83) POLBMAPK1ALDH1A1CA12CA1
SCHEMBL975118 0.64 SRD5A2 (0.83) POLBMAPK1ALDH1A1CA12CA1
SCHEMBL9189648 0.63 LMNA (0.72) MEN1KMT2APOLBMAPK1ALDH1A1
Acetonitrile SCHEMBL27613120 0.63 MAPK1 (0.68) MEN1KMT2APOLBRAB9AMAPK1
SCHEMBL21847260 0.62 ALDH1A1 (0.63) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL9426427 0.62 SRD5A2 (0.53) MEN1KMT2APOLBRAB9AMAPK1

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
WO-2004067527-A1 THIOPHENE DERIVATIVES AS MICROBICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-08-12 WO claimed