SCHEMBL697214

SCHEMBL697214

C=C(c1cccc(F)c1)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PARP1 P09874 1/20 0.39
PAK4 O96013 1/20 0.37
ALPL P05186 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TLK2 Q86UE8 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
F2RL1 P55085 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.35
KCNQ3 O43525 1/20 0.35

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
SCHEMBL706123 0.87 NPC1 (0.37) CES2CES1NPC1RAB9AF2RL1
SCHEMBL10957602 0.83 CA12 (0.38) PARP1NPC1RAB9ACYP3A4KMT2A
SCHEMBL697332 0.81 NPC1 (0.54) CES2CES1PARP1PAK4ALPL
SCHEMBL1573195 0.81 NPC1 (0.46) PARP1HDAC6NPC1RAB9AKMT2A
SCHEMBL696226 0.81 KMT2A (0.41) PARP1PAK4NPC1RAB9AKMT2A
SCHEMBL696858 0.81 CES2 (0.45) CES2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL697210 0.80 NPC1 (0.42) NPC1RAB9AF2RL1
SCHEMBL697784 0.80 MTOR (0.47) NPC1RAB9AKMT2AMEN1
SCHEMBL1573433 0.79 KMT2A (0.37) CES2CES1NPC1RAB9AF2RL1
SCHEMBL27826895 0.78 LOXL2 (0.44) NPC1RAB9AKMT2A

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 3 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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed