SCHEMBL7085409

SCHEMBL7085409

NC(=O)c1c(Cl)cccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.53
CYP2A6 P11509 1/20 0.52
HSD17B10 Q99714 1/20 0.45
MAP2 P11137 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FOLH1 Q04609 1/20 0.42
SCN9A Q15858 3/20 0.42
IKBKB O14920 1/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HNF4A P41235 1/20 0.42
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL6842022 0.86 BCAT2 (0.63) BCAT2HSD17B10ALDH1A1FOLH1IKBKB
SCHEMBL2136910 0.85 CYP2A6 (0.56) CYP2A6ALDH1A1FABP3FABP4FOLH1
SCHEMBL31212990 0.85 CYP2A6 (0.56) CYP2A6ALDH1A1FABP3FABP4FOLH1
SCHEMBL320037 0.80 ALDH1A1 (0.61) HSD17B10ALDH1A1MAPTBLMFEN1
SCHEMBL1250167 0.79 BCAT2 (0.55) BCAT2HSD17B10ALDH1A1FOLH1IKBKB
SCHEMBL975812 0.79 BCAT2 (0.55) BCAT2HSD17B10ALDH1A1FOLH1FGFR1
SCHEMBL901580 0.79 BCAT2 (0.71) BCAT2HSD17B10ALDH1A1FABP3FABP4
SCHEMBL28312104 0.78 IKBKB (0.52) IKBKBMAPTKMT2A
SCHEMBL570758 0.78 BCAT2 (0.63) BCAT2HSD17B10ALDH1A1FABP3FABP4
SCHEMBL8572487 0.78 BCAT2 (0.53) BCAT2FABP3FABP4FOLH1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080689-A Botrytis cinerea method for synthesizing amine 浙江新安化工集团股份有限公司 2024-12-06 CN claimed
CN-113831280-B Preparation method of boscalid 上海埃农生物科技有限公司 2023-08-15 CN claimed
CN-119080689-A Botrytis cinerea method for synthesizing amine 浙江新安化工集团股份有限公司 2024-12-06 CN disclosed
CN-113831280-B Preparation method of boscalid 上海埃农生物科技有限公司 2023-08-15 CN disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed