SCHEMBL698194

SCHEMBL698194

O=C(c1cccc(Br)c1)c1nccn1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
CYP19A1 P11511 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HSP90AA1 P07900 1/20 0.41
LMNA P02545 2/20 0.40
HDAC1 Q13547 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40

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
SCHEMBL5851274 0.87 RAB9A (0.53) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL699131 0.85 KMT2A (0.41) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL697690 0.84 RAB9A (0.51) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL697631 0.82 RAB9A (0.46) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL696380 0.82 OPRD1 (0.52) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24826220 0.80 RAB9A (0.48) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30301935 0.80 RAB9A (0.48) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL418384 0.76 RAB9A (0.57) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL697274 0.76 RAB9A (0.49) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL697005 0.76 RAB9A (0.49) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1

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