SCHEMBL7501246

SCHEMBL7501246

Fc1cccc(F)c1CCNc1ccnc2c(F)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
ADRA1D P25100 5/20 0.53
ADRA1A P35348 5/20 0.53
ADRA1B P35368 5/20 0.53
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
CDK1 P06493 2/20 0.45
CSF1R P07333 2/20 0.45
CDK2 P24941 2/20 0.45
FLT4 P35916 2/20 0.45
CLK2 P49760 2/20 0.45
MAPK12 P53778 2/20 0.45
CSNK2A1 P68400 2/20 0.45
CDK5 Q00535 2/20 0.45
STK3 Q13188 2/20 0.45
TAOK1 Q7L7X3 2/20 0.45
PIM3 Q86V86 2/20 0.45
HIPK4 Q8NE63 2/20 0.45
AURKB Q96GD4 2/20 0.45
HIPK2 Q9H2X6 2/20 0.45

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
SCHEMBL7503788 0.90 KDM4E (0.52) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL7507131 0.89 SMN1; SMN2 (0.53) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL7504497 0.85 LMNA (0.56) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL7510138 0.84 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL7512679 0.84 CYP1A2 (0.51) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL23202861 0.82 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL7505544 0.82 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL7504942 0.82 HPGD (0.50) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL7509990 0.82 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL7511143 0.82 RPS6KB1 (0.50) HTR1AADRA1DADRA1AADRA1BKDM4E

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
EP-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed