SCHEMBL11427784

SCHEMBL11427784

Nc1ccc(C(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ ENPP2 Q13822 3/20 0.58
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ PRMT1 Q99873 3/20 0.45
▸ SNCA P37840 1/20 0.45
▸ NT5E P21589 1/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ SETD7 Q8WTS6 1/20 0.43
▸ NQO2 P16083 1/20 0.42

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
SCHEMBL10907981 0.89 ENPP2 (0.60) CASP6CTDSP1ENPP2POLBMEN1
SCHEMBL11343839 0.89 ENPP2 (0.60) CASP6CTDSP1ENPP2PRMT1SNCA
SCHEMBL10326996 0.88 ENPP2 (0.71) CASP6CTDSP1ENPP2POLBMEN1
SCHEMBL11441389 0.87 ULK1 (0.52) CASP6CTDSP1ENPP2MEN1KMT2A
SCHEMBL11425014 0.85 CASP6 (0.57) CASP6CTDSP1ENPP2POLBMEN1
SCHEMBL11440357 0.85 ENPP2 (0.51) CASP6CTDSP1ENPP2MEN1KMT2A
SCHEMBL11441385 0.85 ENPP2 (0.51) CASP6CTDSP1ENPP2MEN1KMT2A
SCHEMBL14679078 0.84 CASP6 (0.54) CASP6CTDSP1ENPP2POLBMEN1
SCHEMBL11434109 0.83 CD40 (0.56) CASP6ENPP2POLBMEN1KMT2A
SCHEMBL11433010 0.82 CASP6 (0.67) CASP6CTDSP1ENPP2POLBMEN1

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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