SCHEMBL696424

SCHEMBL696424

Cc1cc(C)cc(C(C)(O)c2ncc[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MDM2 Q00987 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FDPS P14324 1/20 0.33
TAAR1 Q96RJ0 1/20 0.30
MAP3K14 Q99558 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
SCHEMBL697231 0.89 CYP19A1 (0.38) CYP19A1ALDH1A1SMN1; SMN2MDM2MAP3K14
SCHEMBL705114 0.84 CYP19A1 (0.42) CYP19A1ALDH1A1SMN1; SMN2MDM2NISCH
SCHEMBL697304 0.83 CYP19A1 (0.50) CYP19A1ALDH1A1SMN1; SMN2MDM2NISCH
SCHEMBL697276 0.81 CYP19A1 (0.41) CYP19A1ALDH1A1SMN1; SMN2MDM2MAP3K14
SCHEMBL697647 0.81 CYP19A1 (0.38) CYP19A1ALDH1A1SMN1; SMN2NISCHNPC1
SCHEMBL697087 0.77 CYP19A1 (0.47) CYP19A1ALDH1A1NISCHTAAR1
SCHEMBL6302051 0.77 CYP19A1 (0.47) CYP19A1ALDH1A1NISCHTAAR1
SCHEMBL697864 0.76 CYP19A1 (0.48) CYP19A1MDM2MAP3K14
SCHEMBL697370 0.76 CYP19A1 (0.51) CYP19A1ALDH1A1SMN1; SMN2MDM2
SCHEMBL697576 0.76 CYP19A1 (0.40) CYP19A1ALDH1A1SMN1; SMN2NISCHNPC1

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