SCHEMBL30744833

SCHEMBL30744833

O=C(O)c1cc2ccccc2c(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
PIK3CA P42336 5/20 0.50
PIK3R1 P27986 3/20 0.50
MTOR P42345 3/20 0.50
PIK3CD O00329 1/20 0.48
CFTR P13569 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CSNK2A2 P19784 1/20 0.47

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
SCHEMBL30744781 0.83 HTR2C (0.54) KDM4EMAPTMTORTP53CYP1A2
SCHEMBL30744890 0.83 HTR3A (0.55) KDM4EALDH1A1CYP1A2HSD17B10LMNA
SCHEMBL30744836 0.82 CSNK2A2 (0.46) KDM4EALDH1A1HPGDGLAPIK3CA
SCHEMBL30744797 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDGLACYP1A2
SCHEMBL5241851 0.78 NCF1 (0.64) KDM4EMAPTPKMALDH1A1HPGD
SCHEMBL30744858 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDGLACYP1A2
SCHEMBL30744888 0.77 PRKDC (0.46) KDM4EALDH1A1HPGDGLACFTR
SCHEMBL29007294 0.77 PIK3CD (0.59) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL30389776 0.77 PIK3CD (0.59) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL30744790 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDGLACYP1A2

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