SCHEMBL696521

SCHEMBL696521

C=C(c1cccc(C)c1F)c1nccn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NOTUM Q6P988 1/20 0.37
P2RX7 Q99572 2/20 0.37
FDPS P14324 1/20 0.37

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
SCHEMBL699209 0.89 RAB9A (0.46) RAB9ANPC1SMN1; SMN2BRD4HSD17B10
SCHEMBL698833 0.87 RAB9A (0.42) RAB9ANPC1SMN1; SMN2BRD4HSD17B10
SCHEMBL705643 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2BRD4HSD17B10
SCHEMBL699102 0.87 RAB9A (0.49) RAB9ANPC1SMN1; SMN2BRD4LMNA
SCHEMBL27826896 0.84 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HSD17B10TDP1
SCHEMBL697953 0.84 RAB9A (0.42) RAB9ANPC1SMN1; SMN2BRD4HSD17B10
SCHEMBL697825 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HSD17B10TDP1
SCHEMBL696960 0.82 RAB9A (0.44) RAB9ANPC1SMN1; SMN2BRD4HSD17B10
SCHEMBL697594 0.81 RAB9A (0.46) RAB9ANPC1SMN1; SMN2BRD4HSD17B10
SCHEMBL696695 0.79 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HSD17B10TDP1

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