SCHEMBL10823556

SCHEMBL10823556

Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cc(O)c(S(=O)(=O)O)c4ccccc34)c2)cc1S(=O)(=O)Nc1cc(O)c(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 19/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ G6PD P11413 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL10823528 0.86 IDH1 (0.54) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823495 0.86 IDH1 (0.56) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823659 0.83 IDH1 (0.53) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823391 0.83 HKDC1 (0.48) MEN1GAAKMT2A
SCHEMBL10823457 0.81 IDH1 (0.56) IDH1
SCHEMBL11340304 0.81 CA12 (0.41) MEN1KMT2A
SCHEMBL10823467 0.81 IDH1 (0.58) IDH1
SCHEMBL10823616 0.80 IDH1 (0.57) IDH1
SCHEMBL10823681 0.79 EP300 (0.47) MEN1GAAG6PDKMT2A
SCHEMBL10823549 0.79 IDH1 (0.53) IDH1MEN1GAAG6PDKMT2A

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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