SCHEMBL13749526

SCHEMBL13749526

Bc1cc(COOCC)nc(NS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ USP2 O75604 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYTH2 Q99418 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FFAR4 Q5NUL3 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
SCHEMBL13749029 0.82 KDM4E (0.49) ALDH1A1KDM4ELMNAGAAPKM
SCHEMBL13749459 0.72 KDM4E (0.49) ALDH1A1KDM4ELMNAGAAPKM
SCHEMBL13789387 0.70 KDM4E (0.50) ALDH1A1KDM4ELMNAGAAPKM
SCHEMBL13633458 0.67 KDM4E (0.49) ALDH1A1KDM4ELMNAGAAPKM
SCHEMBL7824834 0.66 ALDH1A1 (0.78) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL13633551 0.65 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAUSP2
SCHEMBL14908004 0.65 KDM4E (0.68) ALDH1A1KDM4ELMNAGAAPKM
SCHEMBL7836254 0.64 HTR6 (0.76) ALDH1A1KDM4ELMNAGAAPKM
SCHEMBL29002544 0.64 NFKBIA (0.55) ALDH1A1KDM4ELMNAHSD11B1SMN1; SMN2
SCHEMBL12903578 0.63 SMN1; SMN2 (0.76) ALDH1A1KDM4ELMNAGAAPKM

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
EP-1737459-B1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2009-08-05 — — EP disclosed
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