SCHEMBL11440915

SCHEMBL11440915

Cc1cc(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)ccc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 3/20 0.73
▸ CTDSP1 Q9GZU7 1/20 0.73
▸ PRMT1 Q99873 2/20 0.60
▸ ENPP2 Q13822 2/20 0.52
▸ NSD2 O96028 2/20 0.51
▸ DUSP3 P51452 2/20 0.51
▸ PTPN5 P54829 2/20 0.51
▸ PTPN11 Q06124 2/20 0.51
▸ NT5E P21589 3/20 0.51
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.46
▸ APEX1 P27695 1/20 0.41
▸ CASP7 P55210 1/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL11433774 0.93 CASP6 (0.64) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL11204758 0.92 CASP6 (0.62) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL11426163 0.91 CASP6 (0.73) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL11338243 0.86 PRMT1 (0.66) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL10907672 0.86 CASP6 (0.65) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL11435460 0.86 CASP6 (0.54) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL7890022 0.85 CASP6 (0.78) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL2184239 0.85 CASP6 (1.00) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL29495050 0.85 CASP6 (1.00) CASP6CTDSP1PRMT1ENPP2NSD2
SCHEMBL11428914 0.84 CASP6 (0.64) CASP6CTDSP1PRMT1ENPP2NSD2

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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