SCHEMBL10905485

SCHEMBL10905485

O=C(Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(O)ccc23)c1)C(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(O)ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ TIMP3 P35625 3/20 0.50
▸ USP2 O75604 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ APEX1 P27695 1/20 0.49
▸ CASP6 P55212 2/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ PRMT1 Q99873 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ HPSE Q9Y251 4/20 0.44
▸ ENPP3 O14638 1/20 0.44
▸ ENTPD3 O75355 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ TDP2 O95551 1/20 0.44
▸ CBX7 O95931 1/20 0.44

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
SCHEMBL11340257 0.93 TIMP3 (0.58) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10908211 0.91 MEN1 (0.53) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10905184 0.91 KMT2A (0.47) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10905294 0.87 CASP6 (0.55) KMT2ATIMP3APEX1CASP6CTDSP1
SCHEMBL11439331 0.85 CASP6 (0.50) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11761158 0.85 TIMP3 (0.61) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11337363 0.84 TIMP3 (0.61) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11342887 0.84 TIMP3 (0.55) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11761109 0.84 TIMP3 (0.60) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10909338 0.83 CASP6 (0.67) MEN1KMT2ATIMP3USP2RECQL

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-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 — — US disclosed
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