SCHEMBL8489583

SCHEMBL8489583

CN1C2C=CC(c3cccs3)C1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 3/20 0.34
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
BRDT Q58F21 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL8488165 0.75 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL8488006 0.70 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL8485877 0.70 HTR2C (0.38) SLC6A2SLC6A4SLC6A3GAATSHR
SCHEMBL8487415 0.69 SLC6A3 (0.43) ALDH1A1MAPTKDM4ESLC6A2SLC6A4
SCHEMBL8488675 0.69 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL8489089 0.68 HTR2C (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL8488992 0.67 CHRNB2 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8487483 0.67 MDM2 (0.39) SLC6A2SLC6A4SLC6A3HSD17B10TSHR
SCHEMBL8485131 0.65 CHRNB2 (0.36)
SCHEMBL8489231 0.65 CHRNB2 (0.37)

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
WO-1999038865-A1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES AS PESTICIDES ZENECA LIMITED (GB) 1999-08-05 WO disclosed