SCHEMBL11440357

SCHEMBL11440357

Cc1cc(C(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.51
▸ CASP6 P55212 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ NT5E P21589 1/20 0.40
▸ DEGS1 O15121 1/20 0.39
▸ BLK P51451 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11441385 0.91 ENPP2 (0.51) ENPP2CASP6CTDSP1NT5EDEGS1
SCHEMBL11433813 0.87 ENPP2 (0.46) ENPP2CASP6CTDSP1NT5EDEGS1
SCHEMBL11342692 0.86 ENPP2 (0.50) ENPP2CASP6CTDSP1DEGS1RAB9A
SCHEMBL10909132 0.86 ENPP2 (0.50) ENPP2CASP6CTDSP1NT5EDEGS1
SCHEMBL11427784 0.85 CASP6 (0.60) ENPP2CASP6CTDSP1NT5EMAPT
SCHEMBL11435442 0.84 CASP6 (0.49) ENPP2CASP6CTDSP1NT5ERAB9A
SCHEMBL11204758 0.83 CASP6 (0.62) ENPP2CASP6CTDSP1NT5ERAB9A
SCHEMBL11428137 0.83 CASP6 (0.47) ENPP2CASP6CTDSP1NT5ERAB9A
SCHEMBL11425747 0.83 MAPT (0.55) ENPP2RAB9ANPC1MAPTTP53
SCHEMBL11440412 0.82 ENPP2 (0.43) ENPP2CASP6CTDSP1NT5ERAB9A

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
Send feedback