SCHEMBL10823538

SCHEMBL10823538

Cc1cc(S(=O)(=O)Nc2c(O)c(S(=O)(=O)O)cc3ccccc23)ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2c(O)c(S(=O)(=O)O)cc3ccccc23)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ HSD17B2 P37059 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ G6PD P11413 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ NEK2 P51955 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10823738 0.92 MEN1 (0.44) MEN1KMT2AHKDC1CA12CA1
SCHEMBL10823573 0.87 MCL1 (0.45) MEN1KMT2AHKDC1GAAKDM4E
SCHEMBL10823709 0.85 LMNA (0.52) MEN1KMT2AHKDC1CA2HSD17B2
SCHEMBL10823359 0.84 CA12 (0.45) MEN1KMT2AHKDC1CA12CA1
SCHEMBL10823633 0.84 CA12 (0.42) MEN1KMT2AHKDC1CA12CA1
SCHEMBL10823574 0.84 CA12 (0.45) MEN1KMT2AHKDC1CA12CA1
SCHEMBL11341867 0.83 DHODH (0.44) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL10823548 0.83 MEN1 (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL10823622 0.81 HPSE (0.40) MEN1KMT2AHKDC1CA12CA1
SCHEMBL10823535 0.81 EP300 (0.43) MEN1KMT2AHKDC1CA12CA1

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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