SCHEMBL14747226

SCHEMBL14747226

CCOC(=O)c1cn(Cc2ccccc2C)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.50
HTT P42858 2/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GNRHR P30968 7/20 0.46
TDP1 Q9NUW8 1/20 0.45
STAT3 P40763 1/20 0.45
CYP1A2 P05177 1/20 0.42
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
LMNA P02545 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
SCHEMBL3237295 0.88 CHRM1 (0.47) CHRM1HTTKDM4EALDH1A1GNRHR
SCHEMBL14747225 0.86 CHRM1 (0.66) CHRM1HTTALDH1A1MAPTTP53
SCHEMBL3234568 0.84 CHRM1 (0.51) CHRM1HTTKMT2AKDM4EALDH1A1
SCHEMBL6691224 0.84 TDP1 (0.55) CHRM1HTTKMT2AKDM4EALDH1A1
SCHEMBL2492043 0.82 LMNA (0.51) CHRM1HTTKMT2AKDM4EALDH1A1
SCHEMBL16378027 0.80 CHRM1 (0.76) CHRM1HTTKDM4EALDH1A1GNRHR
SCHEMBL1931751 0.80 CHRM1 (0.60) CHRM1HTTKMT2AKDM4EALDH1A1
SCHEMBL3234254 0.79 CHRM1 (0.59) CHRM1HTTKDM4EALDH1A1MAPT
SCHEMBL3234195 0.79 CHRM1 (0.58) CHRM1HTTKMT2AKDM4EALDH1A1
SCHEMBL1482397 0.76 CHRM1 (0.45) CHRM1HTTKMT2AKDM4EALDH1A1

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
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed