SCHEMBL9401734

SCHEMBL9401734

CC(=O)N(C)c1ccc2c(O)cc(S(=O)(=O)O)cc2c1.CC(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.62
CASP6 P55212 4/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
NT5E P21589 1/20 0.49
NSD2 O96028 3/20 0.49
SIRT1 Q96EB6 1/20 0.47
DUSP3 P51452 2/20 0.46
PTPN5 P54829 2/20 0.46
PTPN11 Q06124 2/20 0.46
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP7 P55210 1/20 0.41
PRMT3 O60678 1/20 0.40
EP300 Q09472 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
PKM P14618 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
SCHEMBL7720118 0.91 NSD2 (0.58) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL11133987 0.90 NSD2 (0.60) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL3481043 0.88 PRMT1 (0.78) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL4117391 0.87 PRMT1 (0.76) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL7712968 0.80 NSD2 (0.74) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL1803097 0.79 NT5E (0.75) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL9310243 0.78 PRMT1 (0.62) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL27138366 0.77 NSD2 (0.78) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL2679101 0.77 PRMT1 (1.00) PRMT1CASP6CTDSP1NT5ENSD2
SCHEMBL6079067 0.77 PRMT1 (1.00) PRMT1CASP6CTDSP1NT5ENSD2

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-5278292-A Aromatic sulfonyl water-soluble color materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed