SCHEMBL30744937

SCHEMBL30744937

COC(=O)c1nc(O)cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
F2 P00734 2/20 0.42
PLAU P00749 2/20 0.42
ELANE P08246 2/20 0.42
ERN1 O75460 1/20 0.42
RNASEH1 O60930 1/20 0.42
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL20944292 0.83 KDM4E (0.49) KDM4EALDH1A1HPGDNPSR1STAT3
SCHEMBL16008196 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDNPSR1STAT3
SCHEMBL31547755 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDNPSR1STAT3
SCHEMBL27922983 0.75 PLA2G2A (0.55) KDM4EALDH1A1HPGDNPSR1STAT3
SCHEMBL30301713 0.75 CNR2 (0.52) KDM4ENPSR1STAT3HIF1AMEN1
SCHEMBL7631322 0.75 CNR2 (0.52) KDM4ENPSR1STAT3HIF1AMEN1
SCHEMBL7016481 0.73 LMNA (0.51) KDM4EALDH1A1NPSR1STAT3HIF1A
SCHEMBL29966579 0.73 LCK (0.50) KDM4EALDH1A1HPGDNPSR1MEN1
SCHEMBL15369528 0.73 LCK (0.50) KDM4EALDH1A1HPGDNPSR1MEN1
SCHEMBL29865696 0.73 LCK (0.50) KDM4EALDH1A1HPGDNPSR1MEN1

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 disclosed