SCHEMBL10907894

SCHEMBL10907894

Cc1cc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)ccc1NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.45
▸ HPSE Q9Y251 2/20 0.44
▸ CASP6 P55212 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TIMP3 P35625 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ENPP3 O14638 1/20 0.41
▸ ENTPD3 O75355 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ CBX7 O95931 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ PRKCG P05129 1/20 0.41

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
SCHEMBL11342360 0.94 HPSE (0.48) ENPP2HPSECASP6CTDSP1MEN1
SCHEMBL10907548 0.86 HPSE (0.47) ENPP2HPSECASP6CTDSP1MEN1
SCHEMBL11435442 0.86 CASP6 (0.49) ENPP2HPSECASP6CTDSP1MEN1
SCHEMBL10908058 0.85 ENPP2 (0.54) ENPP2CASP6CTDSP1MEN1KMT2A
SCHEMBL10909166 0.85 ENPP2 (0.43) ENPP2HPSECASP6CTDSP1MEN1
SCHEMBL10909132 0.85 ENPP2 (0.50) ENPP2HPSECASP6CTDSP1MEN1
SCHEMBL10905493 0.85 NT5E (0.59) ENPP2HPSECASP6CTDSP1MEN1
SCHEMBL11427835 0.83 CASP6 (0.49) ENPP2HPSECASP6CTDSP1MEN1
SCHEMBL10907696 0.83 CASP6 (0.44) ENPP2HPSECASP6CTDSP1MEN1
SCHEMBL10907794 0.83 HPSE (0.44) HPSECASP6MEN1KMT2ATIMP3

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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