SCHEMBL697452

SCHEMBL697452

CC(O)(c1ccc(C(F)(F)F)cc1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
FPR2 P25090 2/20 0.40
AHR P35869 1/20 0.36
KIF11 P52732 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TAAR1 Q96RJ0 1/20 0.33
MDM2 Q00987 1/20 0.33
COMT P21964 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32

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
SCHEMBL5924568 0.87 CYP19A1 (0.49) CYP19A1MEN1KMT2AMDM2
SCHEMBL697304 0.85 CYP19A1 (0.50) CYP19A1NISCHMEN1KMT2ATAAR1
SCHEMBL697534 0.84 CYP19A1 (0.41) CYP19A1MEN1KMT2ATAAR1CES2
SCHEMBL6302051 0.83 CYP19A1 (0.47) CYP19A1NISCHMEN1KMT2ATAAR1
SCHEMBL697087 0.83 CYP19A1 (0.47) CYP19A1NISCHMEN1KMT2ATAAR1
Hydrochloric Acid SCHEMBL11532663 0.81 CYP19A1 (0.68) CYP19A1FPR2AHRKIF11NISCH
SCHEMBL11670362 0.79 CYP19A1 (0.42) CYP19A1FPR2MDM2
SCHEMBL697864 0.78 CYP19A1 (0.48) CYP19A1MDM2GSK3AGSK3B
SCHEMBL697775 0.78 TAAR1 (0.44) CYP19A1NISCHMEN1KMT2ATAAR1
SCHEMBL11533232 0.78 CYP19A1 (0.62) CYP19A1FPR2AHRKIF11NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed