SCHEMBL29639701

SCHEMBL29639701

COc1ccc(CN2CCN(C(=O)CN)CC2)c(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.74
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HTT P42858 1/20 0.61
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
SLC6A4 P31645 1/20 0.58
OPRD1 P41143 1/20 0.58
OPRK1 P41145 1/20 0.58
APOBEC3A P31941 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
LMNA P02545 1/20 0.54

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
SCHEMBL9154432 1.00 CYP2C19 (0.74) CYP2C19KDM4EALDH1A1HTTPKM
Hydrochloric Acid SCHEMBL9426314 0.99 CYP2C19 (0.72) CYP2C19KDM4EALDH1A1HTTPKM
SCHEMBL9154399 0.88 CYP2C19 (0.68) CYP2C19KDM4EALDH1A1HTTPKM
SCHEMBL9987645 0.86 CYP2C19 (0.72) CYP2C19KDM4EALDH1A1HTTPKM
SCHEMBL9426135 0.84 CYP2C19 (0.67) CYP2C19KDM4EALDH1A1HTTPKM
SCHEMBL10728536 0.84 CYP2C19 (0.69) CYP2C19KDM4EALDH1A1HTTPKM
SCHEMBL28298203 0.83 CHRM2 (0.79) CYP2C19KDM4EALDH1A1HTTPKM
SCHEMBL9162455 0.83 CYP2C19 (0.64) CYP2C19KDM4EALDH1A1HTTPKM
SCHEMBL9160121 0.82 CYP2C19 (0.71) CYP2C19KDM4EALDH1A1HTTPKM
SCHEMBL9158845 0.82 CYP2C19 (0.71) CYP2C19KDM4EALDH1A1HTTPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112575116-B Soybean whole genome SNP locus combination, gene chip and application 中国科学院东北地理与农业生态研究所 2023-05-12 CN claimed
CN-112575116-B Soybean whole genome SNP locus combination, gene chip and application 中国科学院东北地理与农业生态研究所 2023-05-12 CN disclosed
US-20220205053-A1 Combination of Soybean Whole Genome SNP Loci, Gene Chip and Application Thereof NORTHEAST INSTITUTE OF GEOGRAPHY AND AGROECOLOGY,CHINESE ACADEMY OF SCIENCES (CN) 2022-06-30 US disclosed