SCHEMBL27491071

SCHEMBL27491071

COc1ccc2nc(Cl)cc(OC(C)=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ F2 P00734 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ LMNA P02545 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PLA2G2A P14555 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 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
SCHEMBL2539829 0.84 KDM4E (0.60) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL27491756 0.81 KDM4E (0.71) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL27507137 0.80 MAPT (0.58) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL29281760 0.77 KDM4E (0.62) KDM4EALDH1A1HPGDF2GLA
SCHEMBL830265 0.76 SMN1; SMN2 (0.48) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL29420513 0.76 SMN1; SMN2 (0.48) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL2531203 0.74 POLB (0.62) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9055047 0.74 ALDH1A1 (0.71) KDM4EALDH1A1HPGDF2GLA
SCHEMBL16742685 0.73 ALDH1A1 (0.52) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL1289610 0.73 BCHE (0.51) KDM4EALDH1A1POLBHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1193016-C Process for synthesizing inhibitor of phosphatidase A2 UNIV BEIJING (CN) 2005-03-16 — — CN disclosed
CN-1502609-A Process for synthesizing inhibitor of phosphatidase A2 北京大学 2004-06-09 — — CN disclosed
Send feedback