SCHEMBL697304

SCHEMBL697304

Cc1ccc(C(C)(O)c2ncc[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
NISCH Q9Y2I1 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
MDM2 Q00987 1/20 0.32
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
MLYCD O95822 1/20 0.31
TP53 P04637 1/20 0.31
ALOX5 P09917 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL11669732 0.91 CYP19A1 (0.43) CYP19A1NISCHNPC1RAB9AALDH1A1
SCHEMBL697452 0.85 CYP19A1 (0.49) CYP19A1NISCHMEN1KMT2AMDM2
SCHEMBL5924568 0.85 CYP19A1 (0.49) CYP19A1RAB9AMEN1KMT2AMDM2
SCHEMBL6302051 0.84 CYP19A1 (0.47) CYP19A1NISCHTSHRALDH1A1MEN1
SCHEMBL697087 0.84 CYP19A1 (0.47) CYP19A1NISCHTSHRALDH1A1MEN1
SCHEMBL696424 0.83 CYP19A1 (0.42) CYP19A1NISCHNPC1RAB9AALDH1A1
SCHEMBL8354535 0.82 NISCH (0.47) CYP19A1NISCHNPC1RAB9ATSHR
SCHEMBL705114 0.81 CYP19A1 (0.42) CYP19A1NISCHNPC1RAB9AALDH1A1
SCHEMBL697370 0.80 CYP19A1 (0.51) CYP19A1TSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL697864 0.80 CYP19A1 (0.48) CYP19A1MDM2AURKAJAK2MAP4K4

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