SCHEMBL697826

SCHEMBL697826

C=C(c1cccc(C(F)F)c1)c1nccn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FDPS P14324 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL697631 0.86 RAB9A (0.46) RAB9AKMT2AALDH1A1HSP90AA1CYP1A2
SCHEMBL697366 0.83 HDAC1 (0.43) RAB9AKMT2AALDH1A1HSP90AA1CYP1A2
SCHEMBL699131 0.82 KMT2A (0.41) RAB9AKMT2AALDH1A1HSP90AA1CYP1A2
SCHEMBL697334 0.82 RAB9A (0.43) RAB9AKMT2AALDH1A1HSP90AA1CYP1A2
SCHEMBL697918 0.78 DRD2 (0.42) RAB9AKMT2AALDH1A1HSP90AA1CYP1A2
SCHEMBL696367 0.77 OPRD1 (0.51) RAB9AKMT2AALDH1A1HSP90AA1NPC1
SCHEMBL698833 0.76 RAB9A (0.42) RAB9AKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL697936 0.75 RAB9A (0.39) RAB9AKMT2AALDH1A1HSP90AA1CYP1A2
SCHEMBL698133 0.73 KMT2A (0.49) KMT2AHSP90AA1CYP1A2CYP2D6CYP2C19
SCHEMBL14723646 0.73 RAB9A (0.48) RAB9AKMT2AALDH1A1HSP90AA1CYP1A2

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 1 patent. 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