SCHEMBL6622101

SCHEMBL6622101

C1=Cc2ncc3ccccc3c2OC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.39
CYP2B6 P20813 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP19A1 P11511 1/20 0.31

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
SCHEMBL1537127 0.73 KDM4E (0.39) KDM4EGPR3MAPK1
SCHEMBL2522030 0.73 KDM4E (0.39) KDM4EGPR3MAPK1
SCHEMBL1043402 0.70 CYP2B6 (0.43) KDM4ECYP2B6CYP19A1
SCHEMBL29372595 0.70 CYP2B6 (0.43) KDM4ECYP2B6CYP19A1
SCHEMBL29365059 0.70 CYP2B6 (0.43) KDM4ECYP2B6CYP19A1
SCHEMBL976367 0.68 KDM4E (0.40) KDM4EGPR3MAPK1
SCHEMBL5093546 0.67 KDM4E (0.39) KDM4EGPR3
SCHEMBL30343302 0.67 KDM4E (0.39) KDM4EGPR3
SCHEMBL378548 0.67 KDM4E (0.39) KDM4EGPR3
SCHEMBL5902340 0.67 KDM4E (0.39) KDM4EGPR3CYP2B6

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 3 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