SCHEMBL30744932

SCHEMBL30744932

COC1CN(c2nc(C(=O)O)cc3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
TTR P02766 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ACACB O00763 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL30744797 0.84 KDM4E (0.44) ALOX15KDM4EALDH1A1MEN1CYP1A2
SCHEMBL30744858 0.83 KDM4E (0.42) ALOX15TTRKDM4EALDH1A1MEN1
SCHEMBL30744894 0.82 CHEK2 (0.42) ALOX15TTRKDM4EALDH1A1MEN1
SCHEMBL30744790 0.82 KDM4E (0.41) ALOX15TTRMAPK1KDM4EALDH1A1
SCHEMBL30744747 0.80 ALOX15 (0.57) ALOX15TTRKDM4EALDH1A1MEN1
SCHEMBL30744890 0.77 HTR3A (0.55) MAPK1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL30744888 0.77 PRKDC (0.46) KDM4EALDH1A1MEN1CYP1A2GLA
SCHEMBL30744836 0.76 CSNK2A2 (0.46) ALOX15MAPK1KDM4EALDH1A1MEN1
SCHEMBL30744833 0.75 KDM4E (0.55) ALOX15KDM4EALDH1A1CYP1A2GLA
SCHEMBL30744781 0.75 HTR2C (0.54) KDM4EMEN1CYP1A2CYP2C19KMT2A

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