SCHEMBL30744797

SCHEMBL30744797

O=C(O)c1cc2ccccc2c(N2CC(O)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ALOX15 P16050 2/20 0.41
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
IGFBP3 P17936 2/20 0.38
PRKDC P78527 2/20 0.37
KRAS P01116 1/20 0.37
NR4A1 P22736 1/20 0.37

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
SCHEMBL30744888 0.89 PRKDC (0.46) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL30744858 0.87 KDM4E (0.42) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL30744790 0.86 KDM4E (0.41) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL30744836 0.86 CSNK2A2 (0.46) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL30744932 0.84 ALOX15 (0.47) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL30744894 0.84 CHEK2 (0.42) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL30744890 0.79 HTR3A (0.55) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL30744781 0.79 HTR2C (0.54) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL30744833 0.79 KDM4E (0.55) KDM4EALDH1A1CYP1A2GLAHPGD
SCHEMBL31165745 0.72 MEN1 (0.55) KDM4EMEN1ALDH1A1CYP1A2GLA

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed