SCHEMBL4628901

SCHEMBL4628901

O=C(O)Cc1ccc(=O)n(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 1/20 0.51
BLM P54132 1/20 0.51
AKR1B1 P15121 2/20 0.48
PTGS1 P23219 2/20 0.47
HTT P42858 2/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
NSD2 O96028 1/20 0.46
POLB P06746 1/20 0.46
GRK2 P25098 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL147797 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL3359441 0.79 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL146809 0.79 ALDH1A1 (0.55) PTGS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3729672 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL14194615 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL23619123 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL312571 0.79 CYP1A2 (0.59) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL382956 0.78 PTGS2 (0.48) PTGS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13990963 0.76 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4628418 0.76 PTGS2 (0.55) PTGS2KDM4EALDH1A1HPGDHSD17B10

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
EP-1539155-B1 STABLE CREAM PREPARATIONS OF PHENYL-PYRIDONE COMPOUNDS FOR TOPICAL APPLICATION MEPHA AG (CH) 2008-04-02 EP claimed