SCHEMBL4785818

SCHEMBL4785818

CCOC(=O)c1cnc2cc(C(F)(F)F)c(F)cc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
CA2 P00918 1/20 0.41
PDE6D O43924 1/20 0.40
PDE5A O76074 1/20 0.40
PDE6A P16499 1/20 0.40

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
SCHEMBL1467061 0.87 MEN1 (0.62) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL1688423 0.87 PDE5A (0.46) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL1285850 0.87 KMT2A (0.49) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL18530485 0.87 KDM4E (0.44) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL27294587 0.85 MEN1 (0.54) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL1178299 0.83 CA2 (0.56) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL10518080 0.83 MEN1 (0.52) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL1645669 0.82 KIF11 (0.38) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL23575405 0.81 MEN1 (0.52) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL29532116 0.81 KDM4E (0.47) MEN1KMT2ATHRBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008090434-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-07-31 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed