SCHEMBL28016456

SCHEMBL28016456

Cc1ccc(-n2n[c]cc2C2CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
PTGS2 P35354 1/20 0.35
TYK2 P29597 1/20 0.33
DGAT1 O75907 1/20 0.33
TP53 P04637 5/20 0.33
LMNA P02545 2/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
TNK2 Q07912 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
DRD1 P21728 2/20 0.31
DRD5 P21918 2/20 0.31
EPHX2 P34913 1/20 0.31
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28016494 0.84 NPC1 (0.42) PTGS2TP53LMNAKCNJ6KCNJ5
SCHEMBL11900025 0.71
SCHEMBL28016466 0.67
SCHEMBL28016453 0.67 ALDH1A1 (0.37) TP53LMNANPBWR1MCHR1NPC1
SCHEMBL28017150 0.64 MAPT (0.34) TP53LMNANPC1RAB9ADRD1
SCHEMBL28016488 0.64
SCHEMBL28016540 0.62 GRM2 (0.34)
SCHEMBL16845853 0.61 PLAT (0.43) TYK2TP53LMNAMAPT
SCHEMBL13532140 0.61 NPC1 (0.73) SRCTP53LMNAKCNJ6KCNJ5
SCHEMBL3129724 0.61

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
CN-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 CN disclosed
CN-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed