SCHEMBL1937574

SCHEMBL1937574

Nc1cccc(S(=O)(=O)NCCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 1.00
ALDH1A1 P00352 4/20 0.69
AKR1C3 P42330 1/20 0.66
CYP19A1 P11511 1/20 0.66
HSD17B10 Q99714 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
TAAR1 Q96RJ0 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 2/20 0.57

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
SCHEMBL2850435 0.91 PRMT1 (0.83) PRMT1ALDH1A1AKR1C3CYP19A1HSD17B10
SCHEMBL5034890 0.87 PRMT1 (0.77) PRMT1ALDH1A1AKR1C3CYP19A1TDP1
SCHEMBL2858653 0.86 PRMT1 (0.75) PRMT1ALDH1A1AKR1C3CYP19A1
SCHEMBL1565027 0.85 PRMT1 (0.73) PRMT1ALDH1A1CYP19A1HSD17B10CA1
SCHEMBL31174173 0.85 PRMT1 (0.73) PRMT1ALDH1A1CYP19A1HSD17B10CA1
SCHEMBL5032445 0.84 CYP19A1 (0.85) PRMT1ALDH1A1CYP19A1HDAC2HDAC8
SCHEMBL31339948 0.84 CYP19A1 (0.85) PRMT1ALDH1A1CYP19A1HDAC2HDAC8
SCHEMBL412302 0.84 ALDH1A1 (0.79) PRMT1ALDH1A1AKR1C3HSD17B10CA1
SCHEMBL4616767 0.83 ALDH1A1 (0.71) PRMT1ALDH1A1AKR1C3HSD17B10HDAC2
SCHEMBL6804085 0.83 PRMT1 (0.88) PRMT1ALDH1A1HSD17B10CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed