SCHEMBL10823342

SCHEMBL10823342

O=C(Nc1ccc(S(=O)(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)cc1)Nc1ccc(S(=O)(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 4/20 0.44
▸ GHSR Q92847 2/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ PSD A5PKW4 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ XBP1 P17861 1/20 0.42

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
SCHEMBL10823567 0.90 IDH1 (0.48) KMT2ALMNAMEN1ALOX12PRMT1
SCHEMBL10823479 0.87 HSD17B2 (0.46) KMT2AALDH1A1LMNAGHSRMEN1
SCHEMBL10823535 0.84 EP300 (0.43) KMT2AALDH1A1LMNAGHSRMEN1
SCHEMBL10823384 0.83 LMNA (0.46) KMT2AALDH1A1LMNAGHSRMEN1
SCHEMBL10823559 0.83 LMNA (0.50) KMT2AALDH1A1LMNAGHSRMEN1
SCHEMBL11341156 0.81 TIMP3 (0.48) KMT2AALDH1A1MEN1PRMT1MAPT
SCHEMBL10823412 0.81 AURKB (0.47) KMT2AALDH1A1LMNAMEN1HTT
SCHEMBL10823362 0.81 MEN1 (0.46) KMT2AALDH1A1LMNAMEN1HTT
SCHEMBL10823718 0.81 HKDC1 (0.48) KMT2AALDH1A1LMNAMEN1PRMT1
SCHEMBL10823428 0.80 TNNI3 (0.49) KMT2AALDH1A1LMNAMEN1ALOX12

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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