SCHEMBL10908211

SCHEMBL10908211

O=C(Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3ccc(O)cc23)c1)C(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3ccc(O)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ TIMP3 P35625 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ APEX1 P27695 1/20 0.49
▸ TRPV1 Q8NER1 5/20 0.47
▸ HPSE Q9Y251 4/20 0.46
▸ PKM P14618 2/20 0.46
▸ ENPP3 O14638 1/20 0.46
▸ ENTPD3 O75355 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ TDP2 O95551 1/20 0.46
▸ CBX7 O95931 1/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ ESR1 P03372 1/20 0.46

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
SCHEMBL11337363 0.93 TIMP3 (0.61) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10905485 0.91 MEN1 (0.50) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10905209 0.87 ENPP2 (0.51) TIMP3APEX1TRPV1NSD2PRMT1
SCHEMBL11426066 0.85 APEX1 (0.50) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11340257 0.84 TIMP3 (0.58) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10909078 0.84 MEN1 (0.50) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10905184 0.82 KMT2A (0.47) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10907788 0.82 NT5E (0.62) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11431303 0.82 RAB9A (0.54) MEN1KMT2ATDP1ALDH1A1APEX1
SCHEMBL10909117 0.81 MEN1 (0.46) 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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