SCHEMBL697432

SCHEMBL697432

C=C(c1ncc[nH]1)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 8/20 0.36
CD38 P28907 1/20 0.36
AURKA O14965 2/20 0.35
AURKB Q96GD4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KAT6A Q92794 1/20 0.35
CTSS P25774 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
HCAR1 Q9BXC0 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
SCHEMBL698757 0.88 KMT2A (0.43) TAAR1KMT2ANPC1RAB9A
SCHEMBL697429 0.86 P2RX7 (0.44) TAAR1KMT2AP2RX7CTSS
SCHEMBL697349 0.84 KMT2A (0.54) TAAR1KMT2AP2RX7AURKAAURKB
SCHEMBL697904 0.82 KMT2A (0.42) KMT2ANPC1RAB9A
SCHEMBL697294 0.78 KMT2A (0.37) TAAR1KMT2AP2RX7NPC1RAB9A
SCHEMBL703857 0.75 KMT2A (0.39) TAAR1KMT2ANPC1RAB9ATAS1R3
SCHEMBL7235096 0.73 TAAR1 (0.49) TAAR1KMT2AP2RX7
SCHEMBL703867 0.72 KMT2A (0.59) TAAR1KMT2AP2RX7NPC1RAB9A
SCHEMBL11266816 0.72 KMT2A (0.47) TAAR1KMT2ANPC1RAB9A
SCHEMBL1573433 0.72 KMT2A (0.37) KMT2ANPC1RAB9A

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