SCHEMBL697775

SCHEMBL697775

CC(O)(c1ncc[nH]1)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
CYP19A1 P11511 1/20 0.40
PARP1 P09874 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
PMP22 Q01453 1/20 0.33
PTGES O14684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL696829 0.87 TAAR1 (0.44) TAAR1CYP19A1PARP1CYP3A4CYP2D6
SCHEMBL697435 0.85 CYP19A1 (0.46) TAAR1CYP19A1PARP1HSD17B10
SCHEMBL1573181 0.84 CYP19A1 (0.40) TAAR1CYP19A1MTORADKNISCH
SCHEMBL6299558 0.84 CYP19A1 (0.46) TAAR1CYP19A1CYP1A2CYP3A4KMT2A
SCHEMBL696761 0.81 TAAR1 (0.40) TAAR1CYP19A1PARP1HSD11B1
SCHEMBL706070 0.79 CYP19A1 (0.48) TAAR1CYP19A1CYP1A2CYP3A4KMT2A
SCHEMBL697917 0.79 CYP19A1 (0.38) TAAR1CYP19A1HSD11B1
SCHEMBL697634 0.78 CYP19A1 (0.37) TAAR1CYP19A1ALDH1A1
SCHEMBL698787 0.78 CYP19A1 (0.43) TAAR1CYP19A1ALDH1A1KMT2ALMNA
SCHEMBL697452 0.78 CYP19A1 (0.49) TAAR1CYP19A1KMT2AMEN1NISCH

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