SCHEMBL10823567

SCHEMBL10823567

O=C(Nc1cccc(S(=O)(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)c1)Nc1cccc(S(=O)(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.48
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ PRMT1 Q99873 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CA12 O43570 5/20 0.46
▸ CA1 P00915 5/20 0.46
▸ CA2 P00918 5/20 0.46
▸ CA9 Q16790 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ PKM P14618 2/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL10823484 0.90 IDH1 (0.52) IDH1MAPTMEN1KMT2ALMNA
SCHEMBL10823342 0.90 KMT2A (0.45) MAPTMEN1KMT2ALMNAPRMT1
SCHEMBL10823720 0.86 MAPT (0.47) IDH1MAPTMEN1KMT2ALMNA
SCHEMBL10823480 0.85 MAPT (0.50) IDH1MAPTMEN1KMT2ALMNA
SCHEMBL10823358 0.85 TNNI3 (0.51) IDH1MAPTMEN1KMT2ALMNA
SCHEMBL10823535 0.84 EP300 (0.43) IDH1MAPTMEN1KMT2ALMNA
SCHEMBL10823508 0.83 MEN1 (0.46) IDH1MAPTMEN1KMT2ALMNA
SCHEMBL10823442 0.82 MEN1 (0.49) IDH1MAPTMEN1KMT2ALMNA
SCHEMBL10823683 0.82 MAPT (0.49) IDH1MAPTMEN1KMT2ALMNA
SCHEMBL10823552 0.81 MEN1 (0.51) IDH1MAPTMEN1KMT2ALMNA

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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