SCHEMBL28274346

SCHEMBL28274346

NC(=O)c1ccccc1-c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.70
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
SIRT2 Q8IXJ6 6/20 0.50
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
MAPK14 Q16539 2/20 0.50
SIRT1 Q96EB6 1/20 0.49
JAK2 O60674 1/20 0.48
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
BRD4 O60885 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL28326847 0.87 BCAT2 (0.53) BCAT2MAPTGAAGFERCHRNB2
SCHEMBL5878337 0.85 BCAT2 (0.87) BCAT2MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL31140008 0.83 BCAT2 (0.92) BCAT2MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL29427545 0.83 BCAT2 (1.00) BCAT2MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL30582476 0.83 BCAT2 (0.83) BCAT2MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL132986 0.83 BCAT2 (1.00) BCAT2MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL28326819 0.83 MAPT (0.53) BCAT2MAPTGAAGFERCHRNB2
SCHEMBL28203020 0.83 BCAT2 (0.65) BCAT2MAPTGAAGFERCHRNB2
Hydrochloric Acid SCHEMBL5180095 0.81 BCAT2 (0.96) BCAT2MAPTCHRNB2CHRNB4CHRNA3
Urea SCHEMBL28572437 0.81 BCAT2 (0.96) BCAT2MAPTCHRNB2CHRNB4CHRNA3

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
CN-109369437-A Preparation method of antioxidant anti-aging agent N- (4-anilinophenyl) benzamide 连云港锐巴化工有限公司 2019-02-22 CN disclosed