SCHEMBL6068282

SCHEMBL6068282

O=C1CCCC=C1C(=O)c1ccc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.51
KDM4E B2RXH2 3/20 0.48
MGAM O43451 1/20 0.47
HDAC8 Q9BY41 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.42
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM2 Q14416 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
TSHR P16473 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
SCHEMBL12052311 0.75 CNR2 (0.51) CNR2KDM4EMGAMHDAC8ALDH1A1
SCHEMBL1343443 0.75 CNR2 (0.78) CNR2KDM4EMGAMHDAC8ALDH1A1
SCHEMBL13246719 0.74 CNR2 (0.50) CNR2KDM4EMGAMHDAC8ALDH1A1
SCHEMBL2897987 0.72 ALDH1A1 (0.45) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL2889584 0.69 MGAM (0.70) CNR2KDM4EMGAMHDAC8ALDH1A1
SCHEMBL7832199 0.69 CNR2 (1.00) CNR2KDM4EMGAMHDAC8ALDH1A1
SCHEMBL30227109 0.69 CNR2 (1.00) CNR2KDM4EMGAMHDAC8ALDH1A1
SCHEMBL367913 0.68 MGAM (0.68) CNR2KDM4EMGAMHDAC8ALDH1A1
SCHEMBL29540332 0.68 MGAM (0.68) CNR2KDM4EMGAMHDAC8ALDH1A1
SCHEMBL3260876 0.68 MAPT (0.46) KDM4EALDH1A1GAAMAPTRAB9A

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
US-7030063-B1 Cyclohexenonquinolinoyl-derivatives as herbicidal agents BASF AKTIENGESELLSCHAFT (DE) 2006-04-18 US disclosed