SCHEMBL10823599

SCHEMBL10823599

Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc4cc(S(=O)(=O)O)cc(O)c4c3)c2)cc1S(=O)(=O)Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.59
▸ NT5E P21589 1/20 0.59
▸ IDH1 O75874 16/20 0.56
▸ NSD2 O96028 1/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ PTPN5 P54829 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50

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
SCHEMBL10823776 0.92 PRMT1 (0.71) PRMT1IDH1CASP6
SCHEMBL10823606 0.87 PRMT1 (0.66) PRMT1IDH1
SCHEMBL10823767 0.86 PRMT1 (0.55) PRMT1IDH1
SCHEMBL10900036 0.85 PRMT1 (0.81) PRMT1NT5ENSD2DUSP3PTPN5
SCHEMBL29384348 0.85 PRMT1 (0.81) PRMT1NT5ENSD2DUSP3PTPN5
SCHEMBL10823410 0.84 IDH1 (0.61) IDH1
SCHEMBL10823426 0.84 IDH1 (0.58) IDH1
SCHEMBL10823509 0.84 IDH1 (0.58) IDH1
SCHEMBL10823488 0.84 PRMT1 (0.64) PRMT1NT5ENSD2DUSP3PTPN5
SCHEMBL10823432 0.83 IDH1 (0.59) IDH1

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-H83-H Dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-01 — — US disclosed
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