SCHEMBL6639653

SCHEMBL6639653

C1=COc2c(ncc3ccccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.39
MAPK1 P28482 1/20 0.33

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
SCHEMBL1752671 0.70 TDP1 (0.39)
SCHEMBL8274129 0.69 KDM4E (0.41) KDM4EGPR3MAPK1
SCHEMBL16851728 0.67 KDM4E (0.42) KDM4EGPR3MAPK1
SCHEMBL15647796 0.67 ATM (0.40) KDM4EGPR3MAPK1
SCHEMBL8274126 0.67 KDM4E (0.39) KDM4EGPR3MAPK1
SCHEMBL18576434 0.63 KDM4E (0.47) KDM4EGPR3MAPK1
SCHEMBL6622101 0.63 KDM4E (0.39) KDM4EGPR3MAPK1
SCHEMBL29374271 0.61 ACHE (0.46) KDM4EGPR3MAPK1
SCHEMBL8088682 0.61 ACHE (0.46) KDM4EGPR3MAPK1
SCHEMBL2921118 0.61 ACHE (0.46) KDM4EGPR3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP claimed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO claimed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed