SCHEMBL10909132

SCHEMBL10909132

Cc1cc(C(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)ccc1NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.50
▸ HPSE Q9Y251 2/20 0.42
▸ NT5E P21589 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TIMP3 P35625 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ENTPD3 O75355 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ CBX7 O95931 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PRKCB P05771 1/20 0.39

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
SCHEMBL11342692 0.94 ENPP2 (0.50) ENPP2HPSEMEN1KMT2AMAPT
SCHEMBL10907484 0.87 ENPP2 (0.45) ENPP2HPSEMEN1KMT2AMAPT
SCHEMBL11440357 0.86 ENPP2 (0.51) ENPP2NT5EMEN1KMT2AMAPT
SCHEMBL10907981 0.85 ENPP2 (0.60) ENPP2NT5EMEN1KMT2ATIMP3
SCHEMBL10905493 0.85 NT5E (0.59) ENPP2HPSENT5EMEN1KMT2A
SCHEMBL10907894 0.85 ENPP2 (0.45) ENPP2HPSENT5EMEN1KMT2A
SCHEMBL10907548 0.83 HPSE (0.47) ENPP2HPSENT5EMEN1KMT2A
SCHEMBL11441385 0.83 ENPP2 (0.51) ENPP2NT5EMEN1KMT2AMAPT
SCHEMBL10909166 0.83 ENPP2 (0.43) ENPP2HPSENT5EMEN1KMT2A
SCHEMBL11425747 0.82 MAPT (0.55) ENPP2MEN1KMT2AMAPTTDP1

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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