SCHEMBL9318957

SCHEMBL9318957

COC(=O)c1cc(C(=O)OC)c(OC)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 1/20 0.46
LCK P06239 1/20 0.45
POLB P06746 2/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43

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
SCHEMBL10467645 0.83 MAPK1 (0.52) KDM4EMAPK1GAALCKGABRP
SCHEMBL25616497 0.82 KDM4E (0.47) KDM4EMAPK1GAAPOLBHSD17B10
SCHEMBL31216654 0.82 KDM4E (0.56) KDM4EMAPK1GAAPOLBGABRP
SCHEMBL23704656 0.82 MAPK1 (0.47) KDM4EMAPK1LCKGABRPGABRD
SCHEMBL30390198 0.81 KDM4E (0.46) KDM4EMAPK1GAALCKPOLB
SCHEMBL20855864 0.81 GAA (0.53) KDM4EMAPK1GAAPOLBHSD17B10
SCHEMBL18512318 0.81 KDM4E (0.46) KDM4EMAPK1GAALCKPOLB
SCHEMBL3408002 0.81 MAPK1 (0.46) KDM4EMAPK1GAALCKGABRP
SCHEMBL9318646 0.80 MAPK1 (0.49) KDM4EMAPK1LCKGABRPGABRD
SCHEMBL30836813 0.79 MAPK1 (0.45) KDM4EMAPK1LCKGABRPGABRD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281943-B1 Substituted pyridine-2,4-carboxylic acid derivatives, process for their preparation, their use as well as medicaments based on these compounds HOECHST AG (DE) 1994-01-12 EP claimed
US-5004748-A Substituted pyridine-2,4-dicarboxylic acid derivatives and medicaments based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-02 US claimed
US-5356909-A Substituted pyridine-2,4-dicarboxylic acid compounds and the use thereof and medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
US-5143926-A Substituted pyridine-2,4-dicarboxylic acid compounds and methods of use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-01 US disclosed
US-5004748-A Substituted pyridine-2,4-dicarboxylic acid derivatives and medicaments based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-02 US disclosed