SCHEMBL11434182

SCHEMBL11434182

Nc1ccc(C(=O)Nc2cc3ccc(S(=O)(=O)O)cc3cc2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ APEX1 P27695 2/20 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
▸ HDAC1 Q13547 1/20 0.47
▸ NT5E P21589 3/20 0.47
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ENPP2 Q13822 3/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ PRMT1 Q99873 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL11425057 0.87 KAT6A (0.52) CASP6CTDSP1APEX1CA1CA2
SCHEMBL11340900 0.86 TIMP3 (0.53) CASP6CTDSP1APEX1CA1CA2
SCHEMBL10909128 0.86 CASP6 (0.50) CASP6CTDSP1APEX1CA1CA2
SCHEMBL11433915 0.85 CASP6 (0.44) CASP6CTDSP1APEX1NT5EMAPT
SCHEMBL11427857 0.85 CASP6 (0.44) CASP6CTDSP1APEX1NT5EMAPT
SCHEMBL11431740 0.84 MAPT (0.62) CTDSP1APEX1MAPTRAB9ADUSP3
SCHEMBL11425433 0.81 CASP6 (0.62) CASP6CTDSP1APEX1CA1CA2
SCHEMBL11589917 0.81 APEX1 (0.77) CASP6CTDSP1APEX1CA1CA2
SCHEMBL6560534 0.81 APEX1 (0.77) CASP6CTDSP1APEX1CA1CA2
SCHEMBL10909653 0.80 DHODH (0.45) CASP6CTDSP1APEX1MAPTRAB9A

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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