SCHEMBL8329376

SCHEMBL8329376

Cc1ccc(S(=O)(=O)OCCCC#C[Si](C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
PSMD10 O75832 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP24A1 Q07973 2/20 0.36
VDR P11473 1/20 0.36
STAT3 P40763 1/20 0.36
GAA P10253 1/20 0.34
G6PD P11413 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CA2 P00918 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL3346514 0.91 CA12 (0.41) CA12CA1CA9PSMD10ALDH1A1
SCHEMBL18263804 0.85 CA12 (0.37) CA12CA1CA9PSMD10ALDH1A1
SCHEMBL11484074 0.85 ALDH1A1 (0.41) CA12CA1CA9PSMD10ALDH1A1
SCHEMBL17006286 0.82 VDR (0.40) CA12CA1CA9ALDH1A1CYP3A4
SCHEMBL20438608 0.82 CA12 (0.42) CA12CA1CA9PSMD10ALDH1A1
SCHEMBL18263758 0.79 CA1 (0.39) CA12CA1CA9PSMD10ALDH1A1
SCHEMBL483847 0.79 ALDH1A1 (0.50) CA12CA1CA9PSMD10ALDH1A1
SCHEMBL890725 0.79 ALDH1A1 (0.50) CA12CA1CA9PSMD10ALDH1A1
SCHEMBL278880 0.79 ALDH1A1 (0.41) CA12CA1CA9PSMD10ALDH1A1
SCHEMBL9501782 0.79 L3MBTL1 (0.47) CA12CA1CA9PSMD10ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0947515-A1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-10-06 EP disclosed
US-5843957-A Naphthyridine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1998-12-01 US disclosed