SCHEMBL11435442

SCHEMBL11435442

Cc1cc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ ENPP2 Q13822 11/20 0.47
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NT5E P21589 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENTPD3 O75355 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ CBX7 O95931 1/20 0.38

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
SCHEMBL11427835 0.91 CASP6 (0.49) CASP6CTDSP1ENPP2NPC1RAB9A
SCHEMBL10907894 0.86 ENPP2 (0.45) CASP6CTDSP1ENPP2NPC1RAB9A
SCHEMBL11342360 0.86 HPSE (0.48) CASP6CTDSP1ENPP2NPC1RAB9A
SCHEMBL11428137 0.85 CASP6 (0.47) CASP6CTDSP1ENPP2NPC1RAB9A
SCHEMBL11433010 0.85 CASP6 (0.67) CASP6CTDSP1ENPP2NPC1RAB9A
SCHEMBL11427500 0.84 ENPP2 (0.49) CASP6CTDSP1ENPP2NPC1RAB9A
SCHEMBL11440357 0.84 ENPP2 (0.51) CASP6CTDSP1ENPP2NPC1RAB9A
SCHEMBL11204758 0.83 CASP6 (0.62) CASP6CTDSP1ENPP2NPC1RAB9A
SCHEMBL11438362 0.83 MAPT (0.55) ENPP2NPC1RAB9AMEN1KMT2A
SCHEMBL11433813 0.82 ENPP2 (0.46) CASP6CTDSP1ENPP2NPC1RAB9A

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-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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