SCHEMBL697334

SCHEMBL697334

C=C(c1cccc(CC)c1)c1nccn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
OPRD1 P41143 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL699131 0.88 KMT2A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL697366 0.86 HDAC1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL696367 0.85 OPRD1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL697826 0.82 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL697918 0.81 DRD2 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL697381 0.80 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL28793808 0.79 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL697594 0.77 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL699209 0.75 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL28790638 0.75 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1

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 2 patents. 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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed