SCHEMBL10823663

SCHEMBL10823663

O=C(Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BDKRB1 P46663 1/20 0.45
▸ EP300 Q09472 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ GHSR Q92847 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ NEK2 P51955 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ NAMPT P43490 2/20 0.43
▸ PSD A5PKW4 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 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
SCHEMBL10823344 0.90 EP300 (0.50) LMNAMEN1HTTKMT2AEP300
SCHEMBL10823540 0.88 MEN1 (0.53) LMNAMEN1HTTKMT2A
SCHEMBL10823431 0.87 CHEK1 (0.45) LMNAMEN1HTTKMT2ABDKRB1
SCHEMBL10823633 0.84 CA12 (0.42) LMNAMEN1HTTKMT2AEP300
SCHEMBL10823457 0.84 IDH1 (0.56) —
SCHEMBL10823707 0.83 MEN1 (0.49) LMNAMEN1HTTKMT2ABDKRB1
SCHEMBL10823378 0.83 MEN1 (0.49) LMNAMEN1HTTKMT2ABDKRB1
SCHEMBL10823559 0.83 LMNA (0.50) LMNAMEN1KMT2AGAAGHSR
SCHEMBL10823732 0.82 KMT2A (0.50) LMNAMEN1HTTKMT2ABDKRB1
SCHEMBL11355263 0.81 TIMP3 (0.54) MEN1KMT2AEP300

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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