SCHEMBL697950

SCHEMBL697950

C=C(c1cc(C(F)(F)F)ccc1C)c1nccn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRD1 P41143 1/20 0.39
LMNA P02545 2/20 0.39
BRD4 O60885 1/20 0.39
MAPT P10636 2/20 0.38
NR3C1 P04150 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KCNH2 Q12809 1/20 0.36
S1PR2 O95136 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLS O94925 1/20 0.36
TP53 P04637 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
SCHEMBL697255 0.87 MEN1 (0.46) MEN1KMT2AP2RX7RAB9ANPC1
SCHEMBL697825 0.80 RAB9A (0.42) MEN1KMT2AP2RX7RAB9ANPC1
SCHEMBL696521 0.78 RAB9A (0.45) P2RX7RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL699209 0.77 RAB9A (0.46) RAB9ANPC1SMN1; SMN2LMNABRD4
SCHEMBL698833 0.76 RAB9A (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL705643 0.75 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNABRD4
SCHEMBL697120 0.74 MEN1 (0.44) MEN1KMT2AP2RX7RAB9AOPRD1
SCHEMBL696960 0.73 RAB9A (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL697953 0.72 RAB9A (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL697594 0.72 RAB9A (0.46) RAB9ANPC1SMN1; SMN2OPRD1LMNA

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