SCHEMBL441445

SCHEMBL441445

CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.55
THRB P10828 1/20 0.52
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.49
PDE6D O43924 1/20 0.48
PDE6A P16499 1/20 0.48
PDE6G P18545 1/20 0.48
PDE6B P35913 1/20 0.48
PDE6C P51160 1/20 0.48
PDE6H Q13956 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL437005 0.91 THRB (0.60) PDE5ATHRBKDM4ENPC1RAB9A
SCHEMBL651326 0.87 PDE5A (0.56) PDE5ATHRBKDM4EMAPTKMT2A
SCHEMBL649687 0.86 PDE5A (0.60) PDE5ATHRBKDM4EMAPTKMT2A
SCHEMBL439008 0.84 NMT2 (0.60) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL438198 0.84 MAPK1 (0.63) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL437947 0.83 KMT2A (0.53) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4352879 0.82 MAPT (0.65) PDE5ATHRBMAPTSMN1; SMN2KMT2A
SCHEMBL439271 0.81 MAPK1 (0.65) THRBKDM4ENPC1RAB9AMAPT
SCHEMBL437781 0.81 MAPT (0.61) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL441687 0.81 KMT2A (0.62) KDM4ENPC1RAB9AMAPTSMN1; SMN2

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed