SCHEMBL10909166

SCHEMBL10909166

Cc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)c(O)cc3c2)ccc1NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)O)c(O)cc3c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ HPSE Q9Y251 2/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ NT5E P21589 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TIMP3 P35625 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

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
SCHEMBL11343138 0.94 HPSE (0.46) ENPP2NPC1RAB9AHPSEDHODH
SCHEMBL11427500 0.86 ENPP2 (0.49) ENPP2NPC1RAB9AMEN1KMT2A
SCHEMBL10907826 0.85 ENPP2 (0.51) ENPP2NPC1RAB9AMEN1KMT2A
SCHEMBL10907894 0.85 ENPP2 (0.45) ENPP2NPC1RAB9AHPSEDHODH
SCHEMBL10905493 0.85 NT5E (0.59) ENPP2NPC1RAB9AHPSEMEN1
SCHEMBL10907548 0.83 HPSE (0.47) ENPP2HPSEMEN1KMT2ACASP6
SCHEMBL11435634 0.83 ENPP2 (0.47) ENPP2NPC1RAB9AMEN1KMT2A
SCHEMBL10909132 0.83 ENPP2 (0.50) ENPP2NPC1RAB9AHPSEDHODH
SCHEMBL11432085 0.82 MEN1 (0.55) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL10907559 0.82 KMT2A (0.47) ENPP2NPC1RAB9AMEN1KMT2A

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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