SCHEMBL4775285

SCHEMBL4775285

Cc1c(Cl)cc2ccccc2c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
CYP1A2 P05177 3/20 0.41
MAPT P10636 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2A6 P11509 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.39
GLO1 Q04760 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL1055398 0.81 CYP1A2 (0.48) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL27289193 0.81 ERN1 (0.52) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL11309867 0.79 PADI4 (0.53) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5841529 0.79 ERN1 (0.44) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5843386 0.79 ERN1 (0.58) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL14877209 0.78 ALDH1A1 (0.43) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL10978821 0.77 CYP2A6 (0.46) CYP1A2MAPTCYP2A6TDP1ALDH1A1
SCHEMBL342278 0.76 ERN1 (0.57) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL29388184 0.76 ERN1 (0.57) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL1666535 0.76 CYP1A2 (0.50) ERN1CYP1A2MAPTCYP2C9CYP2C19

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-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP disclosed