SCHEMBL28929678

SCHEMBL28929678

CCCOC(=O)c1nnccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ ADORA3 P0DMS8 5/20 0.44
▸ ELANE P08246 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GRM6 O15303 1/20 0.42
▸ SCN1A P35498 2/20 0.42
▸ SCN2A Q99250 2/20 0.42
▸ SCN3A Q9NY46 2/20 0.42
▸ TARBP2 Q15633 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CYP19A1 P11511 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
SCHEMBL28567393 0.75 KDM4E (0.44) LMNAALDH1A1NPC1SMN1; SMN2
SCHEMBL3771396 0.73 SCN1A (0.71) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL31033122 0.72 BCAT2 (0.47) ALDH1A1
SCHEMBL25780927 0.70 BRD4 (0.56) LMNAALDH1A1NPC1TARBP2TP53
SCHEMBL9462 0.69 LMNA (0.79) LMNAALDH1A1NPC1SMN1; SMN2CHRM1
SCHEMBL159284 0.69 ALDH1A1 (0.54) LMNAALDH1A1TP53CHRM1
SCHEMBL20267313 0.69 ALDH1A1 (0.54) LMNAALDH1A1ADORA3TP53CHRM1
Alcohol SCHEMBL27464334 0.69 LMNA (0.92) LMNAALDH1A1NPC1SCN1ASCN2A
SCHEMBL28754871 0.69 ALDH1A1 (0.63) LMNAALDH1A1ADORA3GRM6SCN1A
SCHEMBL30831837 0.69 LMNA (0.53) LMNAALDH1A1ADORA3ELANENPC1

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-113575586-A Pesticide composition containing brassinolide and propyl phenylpyridazide 江西鑫邦生化有限公司 2021-11-02 — — CN claimed
Send feedback