SCHEMBL4776361

SCHEMBL4776361

COc1cccc(C(=O)[C@H]2CN(CC(O)CN)C[C@H](c3[c]cccc3OC)[C@H]2c2cccc(F)c2C)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KDM2B Q8NHM5 8/20 0.34
MCHR1 Q99705 2/20 0.34
CACNA1G O43497 1/20 0.33
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4019768 0.94 KMT2A (0.36) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4022184 0.92 KMT2A (0.36) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4029278 0.91 KMT2A (0.36) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4026486 0.90 KMT2A (0.35) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4028175 0.87 KDM2B (0.41) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4023590 0.83 DRD4 (0.39) KMT2AHTTALDH1A1LMNAMCHR1
SCHEMBL4023604 0.80 KDM2B (0.42) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL13721307 0.78 KDM2B (0.43) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4018780 0.78 KDM2B (0.43) KMT2AHTTALDH1A1LMNAKDM2B
SCHEMBL4018783 0.78 KDM2B (0.43) KMT2AHTTALDH1A1LMNAKDM2B

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