SCHEMBL697816

SCHEMBL697816

CC(O)(c1ncc[nH]1)c1cc(Cl)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CCR2 P41597 3/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASR P41180 1/20 0.33
PTGES O14684 2/20 0.33
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL7914818 0.88 CYP19A1 (0.51) CYP19A1NPC1RAB9ACCR2MAPK1
SCHEMBL697512 0.88 CYP19A1 (0.51) CYP19A1NPC1RAB9ACCR2MAPK1
SCHEMBL696482 0.88 CYP19A1 (0.44) CYP19A1NPC1RAB9ACCR2ALDH1A1
SCHEMBL697855 0.83 CYP19A1 (0.40) CYP19A1MAPK1ALDH1A1CYP3A4CYP1A2
SCHEMBL28775053 0.82 CYP19A1 (0.40) CYP19A1MDM2PTGESIDO1
SCHEMBL6299558 0.82 CYP19A1 (0.46) CYP19A1RAB9AMAPK1CYP3A4CYP1A2
SCHEMBL698661 0.78 CYP19A1 (0.53) CYP19A1NPC1RAB9AMDM2MEN1
SCHEMBL697370 0.77 CYP19A1 (0.51) CYP19A1ALDH1A1MDM2MEN1KMT2A
SCHEMBL706070 0.77 CYP19A1 (0.48) CYP19A1MAPK1CYP3A4CYP1A2CYP2D6
SCHEMBL697717 0.77 CYP19A1 (0.51) CYP19A1CYP3A4MDM2MEN1KMT2A

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