SCHEMBL11441385

SCHEMBL11441385

Cc1ccc(C(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.51
▸ CASP6 P55212 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ TNIK Q9UKE5 1/20 0.41
▸ NT5E P21589 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ DEGS1 O15121 1/20 0.39
▸ PTGER4 P35408 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
SCHEMBL11440357 0.91 ENPP2 (0.51) ENPP2CASP6CTDSP1NT5EBLK
SCHEMBL11435436 0.87 ENPP2 (0.46) ENPP2CASP6CTDSP1TNIKBLK
SCHEMBL11427784 0.85 CASP6 (0.60) ENPP2CASP6CTDSP1NT5EMAPT
SCHEMBL11427835 0.84 CASP6 (0.49) ENPP2CASP6CTDSP1TNIKNT5E
SCHEMBL11342692 0.83 ENPP2 (0.50) ENPP2CASP6CTDSP1MAPTRAB9A
SCHEMBL11208054 0.83 CASP6 (0.62) ENPP2CASP6CTDSP1TNIKNT5E
SCHEMBL10909132 0.83 ENPP2 (0.50) ENPP2CASP6CTDSP1NT5EMAPT
SCHEMBL11427748 0.83 CASP6 (0.47) ENPP2CASP6CTDSP1MAPTRAB9A
SCHEMBL11432108 0.83 MAPT (0.55) ENPP2CTDSP1MAPTRAB9AKMT2A
SCHEMBL11435634 0.82 ENPP2 (0.47) ENPP2CASP6CTDSP1TNIKNT5E

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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