SCHEMBL28790638

SCHEMBL28790638

C=C(c1cccc(CC)c1CN)c1nccn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
OPRD1 P41143 4/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
OPRK1 P41145 3/20 0.37
HSP90AA1 P07900 1/20 0.37
OPRM1 P35372 1/20 0.36
FDPS P14324 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL697594 0.85 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1OPRD1
SCHEMBL27845582 0.84 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1OPRD1
SCHEMBL27826896 0.84 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1OPRD1
Cyclopropane SCHEMBL27826861 0.83 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1OPRD1
SCHEMBL27827035 0.82 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1OPRD1
SCHEMBL27826859 0.81 OPRD1 (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1OPRD1
SCHEMBL699209 0.77 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL696521 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL705643 0.75 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL696960 0.75 RAB9A (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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