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SCHEMBL10823355

SCHEMBL10823355

O=C(Nc1cccc(S(=O)(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)c1)Nc1cccc(S(=O)(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43

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
SCHEMBL10823714 0.88 LMNA (0.45) PKMMEN1KMT2ALMNAHSD17B1
SCHEMBL10823374 0.86 IDH1 (0.48) IDH1PKMMEN1KMT2ALMNA
SCHEMBL10823476 0.84 PRMT1 (0.62) PKMMEN1KMT2APRMT1
SCHEMBL10823613 0.84 PRMT1 (0.49) IDH1PKMPRMT1
SCHEMBL10823358 0.83 TNNI3 (0.51) IDH1PKMMEN1KMT2ALMNA
SCHEMBL10823710 0.82 MEN1 (0.50) IDH1PKMMEN1KMT2APRMT1
SCHEMBL10823435 0.82 KMT2A (0.52) IDH1PKMMEN1KMT2ALMNA
SCHEMBL10823509 0.82 IDH1 (0.58) IDH1
SCHEMBL11342897 0.81 KMT2A (0.53) PKMMEN1KMT2ALMNAMAPT
SCHEMBL10823647 0.81 IDH1 (0.44) IDH1PKMMEN1KMT2AMAPT

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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