SCHEMBL691154

SCHEMBL691154

COc1cc2cnc(-c3cc(C)c(OCCO)c(C)c3)nc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDGFRB P09619 6/20 0.41
PDGFRA P16234 6/20 0.41
BRD4 O60885 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HDAC6 Q9UBN7 9/20 0.38
DHPS P49366 1/20 0.36

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
SCHEMBL347520 0.81 BRD4 (0.47) BRD4HDAC6
SCHEMBL29430467 0.81 BRD4 (0.47) BRD4HDAC6
SCHEMBL15329367 0.79 CYP1A2 (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL28114790 0.72 PDGFRB (0.65) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL30055885 0.70 BRD4 (0.56) KDM4EBRD4PDE3BPDE3AHDAC6
SCHEMBL144139 0.70 BRD4 (0.56) KDM4EBRD4PDE3BPDE3AHDAC6
SCHEMBL28059287 0.70 HDAC6 (0.42) BRD4HDAC6
SCHEMBL28115284 0.70 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL3873292 0.68 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL28114789 0.68 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA

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
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO disclosed