SCHEMBL697690

SCHEMBL697690

Cc1cc(Br)cc(C(=O)c2nccn2Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
OPRD1 P41143 4/20 0.47
OPRK1 P41145 2/20 0.47
ALDH1A1 P00352 1/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 2/20 0.41
OPRM1 P35372 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL697381 0.86 RAB9A (0.46) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL698194 0.84 KMT2A (0.46) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL5851274 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL1345858 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL697005 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1BRD4
SCHEMBL697274 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1BRD4
SCHEMBL24826220 0.74 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL696380 0.74 OPRD1 (0.52) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL30301935 0.74 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL13389039 0.74 RAB9A (0.55) 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