SCHEMBL4780092

SCHEMBL4780092

COc1cccc(C(=O)[C@H]2CN(CCN(C)C)C[C@H](C(=O)c3cccc(OC)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 11/20 0.43
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
DRD4 P21917 1/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4028033 0.96 KDM2B (0.40) KDM2BKMT2AHTTDRD4HSD11B1
SCHEMBL4751769 0.90 KDM2B (0.40) KDM2BKMT2AHTTDRD4ALDH1A1
SCHEMBL4751767 0.90 KDM2B (0.40) KDM2BKMT2AHTTDRD4ALDH1A1
SCHEMBL4024597 0.90 KDM2B (0.45) KDM2BKMT2AHTTHSD11B1MEN1
SCHEMBL4021398 0.90 KDM2B (0.45) KDM2BKMT2AHTTHSD11B1MEN1
SCHEMBL4022832 0.88 KDM2B (0.43) KDM2BKMT2AHTTDRD4MEN1
SCHEMBL4027956 0.88 KDM2B (0.43) KDM2BKMT2AHTTHSD11B1MEN1
SCHEMBL4029178 0.88 KDM2B (0.43) KDM2BKMT2AHTTDRD4MEN1
SCHEMBL4027951 0.88 KDM2B (0.43) KDM2BKMT2AHTTHSD11B1MEN1
SCHEMBL4018603 0.88 KDM2B (0.39) KDM2BKMT2AHTTDRD4HSD11B1

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-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed