SCHEMBL697918

SCHEMBL697918

C=C(c1cccc(C2CC2)c1)c1nccn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 2/20 0.37
OPRK1 P41145 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KMO O15229 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL697366 0.82 HDAC1 (0.43) DRD2ALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL697334 0.81 RAB9A (0.43) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL699131 0.81 KMT2A (0.41) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL697826 0.78 RAB9A (0.41) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL696367 0.76 OPRD1 (0.51) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL698005 0.76 RAB9A (0.41) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL27826859 0.74 OPRD1 (0.36) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL697381 0.71 RAB9A (0.46) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL28793808 0.70 ALDH1A1 (0.38) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL5851274 0.69 RAB9A (0.53) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2

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