SCHEMBL15726745

SCHEMBL15726745

CCOC(=O)c1ccnc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2cc(C(=O)OCC)ccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.50
▸ JMJD6 Q6NYC1 5/20 0.49
▸ PROKR1 Q8TCW9 5/20 0.47
▸ KDM5B Q9UGL1 2/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM5C P41229 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ DRD3 P35462 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ GAA P10253 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
SCHEMBL3727609 0.79 JMJD6 (0.56) PIK3CAJMJD6KDM5BKDM5AKDM5C
SCHEMBL1287060 0.75 KDM4C (0.41) JMJD6PROKR1KDM5BKDM5AKDM5C
SCHEMBL30607269 0.75 JMJD6 (0.55) PIK3CAJMJD6KDM5BKDM5AKDM5C
SCHEMBL2933744 0.75 JMJD6 (0.55) PIK3CAJMJD6KDM5BKDM5AKDM5C
SCHEMBL14825305 0.74 JMJD6 (0.53) PIK3CAJMJD6KDM5BKDM5AKDM5C
SCHEMBL7376424 0.74 JMJD6 (0.53) PIK3CAJMJD6KDM5BKDM5AKDM5C
SCHEMBL3872835 0.74 JMJD6 (0.53) PIK3CAJMJD6KDM5BKDM5AKDM5C
SCHEMBL811785 0.73 JMJD6 (0.76) PIK3CAJMJD6KDM5CKDM4C
SCHEMBL30171421 0.73 JMJD6 (0.76) PIK3CAJMJD6KDM5CKDM4C
SCHEMBL14825306 0.73 BCHE (0.52) PIK3CAKDM5CKDM4CDRD3ALDH1A1

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
WO-2014076340-A1 CATALYSTS FOR THE EPOXIDATION OF ALKENES UNIVERSITAT DE GIRONA (ES) 2014-05-22 — — WO disclosed
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