SCHEMBL28239285

SCHEMBL28239285

CC(C(N)=O)C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL16314168 0.84 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL28310656 0.82 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL13868824 0.82 CYP2D6 (0.50) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL29253368 0.82 MAPT (0.55) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL616620 0.80 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL616399 0.78 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL615871 0.78 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL5281006 0.78 MAPT (0.55) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL18595880 0.77 KMT2A (0.48) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL618737 0.76 MAPT (0.48) MAPTKMT2ACYP2D6CYP1A2CYP2C19

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-108658803-A A kind of synthetic method of N, N- dialkyl group diphenylpropanamide 青岛科技大学 2018-10-16 CN disclosed