SCHEMBL27797299

SCHEMBL27797299

CCCCc1nc2ccc(F)cn2c(=O)c1-c1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.36
MAPT P10636 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 1/20 0.32
HTR6 P50406 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PIK3CD O00329 6/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL27776487 0.88 MAPT (0.39) FADS1MAPTHSD17B10KDM4EGRIN1
SCHEMBL27797335 0.84 MAPT (0.52) MAPTKDM4ETDP1AGTR1AGTR2
SCHEMBL4178486 0.77 FADS1 (0.40) FADS1HSD17B10
SCHEMBL3959525 0.76 HDAC1 (0.39) FADS1MAPTPDE4APDE4BPDE4C
SCHEMBL3955467 0.68 AXL (0.37) FADS1CYP11B1CYP11B2
SCHEMBL3955475 0.68 AXL (0.37) FADS1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5128633 0.67 AXL (0.36) FADS1CYP11B1CYP11B2
SCHEMBL27776485 0.65 MAPT (0.50) MAPTKDM4ETDP1AGTR1AGTR2
SCHEMBL3958309 0.64 TSPO (0.47) FADS1MAPTPDE4DHSD17B10KDM4E
SCHEMBL3963515 0.63 MAPT (0.47) MAPTPDE4APDE4BPDE4CPDE4D

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
CN-101636398-A Pyridopyrimidinone compounds useful in treating sodium channel-mediated diseases or conditions XENON PHARMACEUTICALS INC 2010-01-27 CN disclosed