SCHEMBL11435663

SCHEMBL11435663

Nc1ccc(C(=O)Nc2c(O)ccc3c(S(=O)(=O)O)cccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TTR P02766 1/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC1 Q13547 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
PRMT1 Q99873 3/20 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
SCHEMBL11433973 0.88 ALDH1A1 (0.48) CASP6CTDSP1TTRHDAC1TDP1
SCHEMBL11340875 0.86 TIMP3 (0.47) CASP6CTDSP1TTRCA1CA2
SCHEMBL10907955 0.86 CD40 (0.44) CASP6CTDSP1TTRCA1CA2
SCHEMBL11433587 0.86 CASP6 (0.49) CASP6CTDSP1CA1CA2CA12
SCHEMBL11433615 0.85 CASP6 (0.51) CASP6CTDSP1CA1CA2CA12
SCHEMBL11433769 0.84 TTR (0.43) CASP6CTDSP1TTRTDP1MEN1
SCHEMBL11439440 0.84 TTR (0.43) CASP6CTDSP1TTRTDP1MEN1
SCHEMBL11424407 0.83 CD40 (0.57) CASP6CTDSP1CA1CA2TDP1
SCHEMBL11433094 0.82 TTR (0.46) CASP6CTDSP1TTRCA1CA2
Acetic Acid SCHEMBL11434117 0.82 CASP6 (0.46) CASP6CTDSP1CA1CA2CA12

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