SCHEMBL10823770

SCHEMBL10823770

O=C(Nc1ccc(S(=O)(=O)Nc2ccc(O)c3c(S(=O)(=O)O)cccc23)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(O)c3c(S(=O)(=O)O)cccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 2/20 0.50
▸ PSD A5PKW4 1/20 0.50
▸ EP300 Q09472 1/20 0.50
▸ KAT2B Q92831 1/20 0.50
▸ KAT8 Q9H7Z6 1/20 0.50
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ GFER P55789 1/20 0.47

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
SCHEMBL10823726 0.92 PSD (0.49) HKDC1PSDEP300KAT2BKAT8
SCHEMBL10823562 0.88 MEN1 (0.49) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL10823651 0.87 MEN1 (0.46) HKDC1PSDEP300KAT2BKAT8
SCHEMBL10823362 0.87 MEN1 (0.46) HKDC1PSDEP300KAT2BKAT8
SCHEMBL10823412 0.87 AURKB (0.47) HKDC1PSDEP300KAT2BKAT8
SCHEMBL10823487 0.84 EP300 (0.46) HKDC1PSDEP300KAT2BKAT8
SCHEMBL10823442 0.84 MEN1 (0.49) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL10823431 0.83 CHEK1 (0.45) HKDC1PSDEP300KAT2BKAT8
SCHEMBL10823346 0.83 CHEK1 (0.45) KMT2AMEN1LMNAHTTMAPT
SCHEMBL11342760 0.82 TIMP3 (0.56) KMT2AMEN1ALDH1A1MAPTHSD17B10

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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