SCHEMBL3669425

SCHEMBL3669425

CCC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C)C.CCC(Oc1ccc2ncc(Br)cc2c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.39
SCN9A Q15858 1/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 4/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
HPGDS O60760 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
F2 P00734 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL29814914 0.96 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1SCN9AHSD17B10LMNA
SCHEMBL154893 0.96 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1SCN9AHSD17B10LMNA
SCHEMBL3669055 0.91 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1SCN9AHSD17B10LMNA
SCHEMBL2221463 0.89 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1SCN9AHSD17B10LMNA
SCHEMBL3607774 0.89 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL4949107 0.85 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1SCN9AHSD17B10LMNA
SCHEMBL3605351 0.85 MAPT (0.37) SMN1; SMN2ALDH1A1SCN9AHSD17B10LMNA
SCHEMBL12181886 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1SCN9AHSD17B10LMNA
SCHEMBL2221539 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL534619 0.83 HSD17B10 (0.36) SMN1; SMN2ALDH1A1HSD17B10LMNAKDM4E

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-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed