SCHEMBL9339331

SCHEMBL9339331

Cc1ccncc1Oc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.60
PTGS2 P35354 9/20 0.60
CDK8 P49336 4/20 0.43
PIM1 P11309 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAP4K2 Q12851 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
CCNC P24863 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 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
SCHEMBL11545424 0.83 PTGS1 (0.56) PTGS1PTGS2CDK8PIM1MAP2K2
SCHEMBL9339489 0.82 CA12 (0.53) PTGS1PTGS2MAPT
SCHEMBL9339338 0.81 PTGS1 (0.58) PTGS1PTGS2KDM4C
SCHEMBL9339328 0.79 PTGS1 (0.52) PTGS1PTGS2CDK8PIM1MAP2K2
SCHEMBL4370948 0.79 PTGS1 (0.52) PTGS1PTGS2CDK8PIM1MAP2K2
SCHEMBL641107 0.79 MAPT (0.56) PTGS1PTGS2CDK8PIM1MAP2K2
SCHEMBL15354404 0.73 HTR2A (0.54) SLC6A4MAPT
SCHEMBL12653055 0.73 HTR2A (0.54) NPSR1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL26985043 0.72 PTGS1 (0.47) PTGS1PTGS2CDK8PIM1MAP2K2
SCHEMBL26984921 0.72 PTGS1 (0.47) PTGS1PTGS2CDK8PIM1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317265-B1 Novel imidate insecticides ZENECA INC (US) 1994-06-01 EP disclosed
US-5089623-A Certain imidate insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
US-5070210-A Novel ketenimines as intermediates for insecticides ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5064846-A Heterocyclic insecticides ICI AMERICAS INC. (US) 1991-11-12 US disclosed
US-5045566-A Phenyl or naphthyl substituted ICI AMERICAS INC. (US) 1991-09-03 US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 US disclosed
US-4994488-A Controlling Lepidoptera ICI AMERICAS INC. (US) 1991-02-19 US disclosed
EP-0317265-A2 Novel imidate insecticides ZENECA INC. (US) 1989-05-24 EP disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 EP disclosed