SCHEMBL697936

SCHEMBL697936

C=C(c1cccc(Br)c1C(F)F)c1nccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FDPS P14324 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 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
SCHEMBL698833 0.88 RAB9A (0.42) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL697875 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL696960 0.83 RAB9A (0.44) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL27845582 0.81 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL705643 0.78 RAB9A (0.44) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL696521 0.77 RAB9A (0.45) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL27827035 0.76 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL27826896 0.76 RAB9A (0.44) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL699209 0.75 RAB9A (0.46) RAB9ANPC1SMN1; SMN2FDPSTDP1
SCHEMBL697826 0.75 RAB9A (0.41) RAB9ANPC1SMN1; SMN2FDPSTDP1

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