SCHEMBL757749

SCHEMBL757749

Cc1ccc(S(=O)(=O)c2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.56
CA12 O43570 6/20 0.56
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
RAB9A P51151 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46
SCN2A Q99250 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.43
PTGS2 P35354 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL26220444 0.94 CA1 (0.63) CA9CA12CA1CA2ALDH1A1
SCHEMBL14125085 0.90 CA9 (0.62) CA9CA12CA1CA2ALDH1A1
SCHEMBL13533868 0.89 ALDH1A1 (0.62) CA9CA12CA1CA2ALDH1A1
SCHEMBL16521230 0.87 CA9 (0.59) CA9CA12CA1CA2ALDH1A1
SCHEMBL758540 0.84 ALDH1A1 (0.57) CA9CA12CA1CA2ALDH1A1
SCHEMBL12023308 0.84 CA9 (0.55) CA9CA12CA1CA2ALDH1A1
SCHEMBL16591494 0.84 MEN1 (0.56) CA9CA12CA1CA2ALDH1A1
SCHEMBL14260441 0.83 CA9 (0.78) CA9CA12CA1CA2ALDH1A1
SCHEMBL26220439 0.83 CA1 (0.61) CA9CA12CA1CA2ALDH1A1
SCHEMBL12912937 0.83 CA9 (0.78) CA9CA12CA1CA2ALDH1A1

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-8138231-B2 Polymer having oxycarbon group, and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-20 US disclosed