SCHEMBL696739

SCHEMBL696739

Cc1cc(C)c(Br)c(C(C)(O)c2ncc[nH]2)c1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL697647 0.77 CYP19A1 (0.38) CYP19A1ALDH1A1SMN1; SMN2ADRA2AADRA2C
SCHEMBL696368 0.74 TAAR1 (0.42) CYP19A1ALDH1A1SMN1; SMN2ADRA2AADRA2C
SCHEMBL1573354 0.71 TAAR1 (0.40) CYP19A1ALDH1A1SMN1; SMN2ADRA2AADRA2C
SCHEMBL696424 0.69 CYP19A1 (0.42) CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL697576 0.69 CYP19A1 (0.40) CYP19A1ALDH1A1SMN1; SMN2ADRA2AADRA2C
SCHEMBL697230 0.69 CYP19A1 (0.40) CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL697369 0.68 ADRA2A (0.43) CYP19A1ALDH1A1SMN1; SMN2ADRA2AADRA2C
SCHEMBL697421 0.67 CYP19A1 (0.41) CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL698582 0.67 CYP19A1 (0.44) CYP19A1
SCHEMBL697864 0.67 CYP19A1 (0.48) CYP19A1

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