SCHEMBL10823401

SCHEMBL10823401

Cc1cc(S(=O)(=O)Nc2c(O)ccc3cccc(S(=O)(=O)O)c23)ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2c(O)ccc3cccc(S(=O)(=O)O)c23)cc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HKDC1 Q2TB90 1/20 0.41
▸ HCRTR1 O43613 2/20 0.40
▸ HSD17B2 P37059 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ HPSE Q9Y251 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ IDH2 P48735 1/20 0.37

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
SCHEMBL10823499 0.88 KMT2A (0.42) CA12CA1CA2CA9MEN1
SCHEMBL10823417 0.86 EP300 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL10823487 0.85 EP300 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL10823460 0.84 CA12 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL10823689 0.84 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL10823453 0.84 LMNA (0.46) CA2MEN1KMT2AHKDC1HCRTR1
SCHEMBL10823595 0.83 UQCRB (0.41) CA12CA1CA2CA9MEN1
SCHEMBL10823534 0.83 CA12 (0.45) CA12CA1CA2CA9MEN1
SCHEMBL11341085 0.83 HPSE (0.43) CA12CA1CA2CA9MEN1
SCHEMBL10823390 0.82 HKDC1 (0.46) CA12CA1CA2CA9MEN1

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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