SCHEMBL440159

SCHEMBL440159

CCOC(=O)c1cnc2c(F)ccc(F)c2c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 3/20 0.47
BTK Q06187 2/20 0.46
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 2/20 0.43
DPP4 P27487 1/20 0.43
FYN P06241 1/20 0.43
SRC P12931 1/20 0.43
TEC P42680 1/20 0.43

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
SCHEMBL6200509 0.85 MAPT (0.63) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL8883620 0.84 MAPT (0.62) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL440533 0.82 KMT2A (0.65) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL440043 0.82 KMT2A (0.68) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL437138 0.81 NPC1 (0.56) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL437796 0.78 NPC1 (0.54) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL436994 0.78 HAVCR2 (0.48) MAPTNPC1RAB9AKMT2AKDM4E
Chlorobenzene SCHEMBL8883653 0.77 MAPT (0.63) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL440196 0.76 NPC1 (0.52) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL438266 0.76 KMT2A (0.47) MAPTNPC1RAB9AKMT2AKDM4E

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