SCHEMBL10823504

SCHEMBL10823504

Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cc(O)cc4cc(S(=O)(=O)O)ccc34)c2)cc1S(=O)(=O)Nc1cc(O)cc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.54
▸ IDH1 O75874 15/20 0.51
▸ ENPP2 Q13822 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.46

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
SCHEMBL10823755 0.92 PRMT1 (0.54) PRMT1IDH1
SCHEMBL10823604 0.85 ENPP2 (0.53) PRMT1IDH1ENPP2
SCHEMBL10823606 0.85 PRMT1 (0.66) PRMT1IDH1SIRT1
SCHEMBL10823776 0.84 PRMT1 (0.71) PRMT1IDH1SIRT1
SCHEMBL10823686 0.83 IDH1 (0.52) PRMT1IDH1
SCHEMBL10823392 0.83 MEN1 (0.54) PRMT1IDH1
SCHEMBL11349248 0.82 PRMT1 (0.55) PRMT1ENPP2SIRT1
SCHEMBL10823767 0.82 PRMT1 (0.55) PRMT1IDH1ENPP2SIRT1
SCHEMBL10823409 0.82 IDH1 (0.55) PRMT1IDH1
SCHEMBL10823584 0.82 MEN1 (0.56) PRMT1IDH1

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
Send feedback