SCHEMBL697381

SCHEMBL697381

C=C(c1cc(C)cc(Br)c1)c1nccn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRD1 P41143 3/20 0.42
OPRK1 P41145 2/20 0.42
HSP90AA1 P07900 1/20 0.39
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 1/20 0.36
FDPS P14324 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 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
SCHEMBL697690 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL28793808 0.85 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL699131 0.84 KMT2A (0.41) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL697396 0.83 RAB9A (0.43) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL697334 0.80 RAB9A (0.43) RAB9ANPC1SMN1; SMN2OPRD1HSP90AA1
SCHEMBL697366 0.76 HDAC1 (0.43) RAB9ANPC1SMN1; SMN2HSP90AA1LMNA
SCHEMBL705643 0.75 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HSP90AA1BRD4
SCHEMBL696960 0.75 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HSP90AA1BRD4
SCHEMBL696367 0.73 OPRD1 (0.51) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL698194 0.72 KMT2A (0.46) RAB9ANPC1SMN1; SMN2OPRD1OPRK1

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