SCHEMBL4751769

SCHEMBL4751769

COc1cccc(C(=O)C2CN(CCCCN(C)C)CC(C(=O)c3cccc(Br)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.40
GRIN2C Q14957 2/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CCR3 P51677 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL4751767 1.00 KDM2B (0.40) KDM2BGRIN2CKMT2AALDH1A1MAPT
SCHEMBL4780092 0.90 KDM2B (0.43) KDM2BKMT2AALDH1A1HTTDRD2
SCHEMBL4749046 0.89 ALDH1A1 (0.34) KMT2AALDH1A1MAPTKDM4ESLC6A4
SCHEMBL4749041 0.89 ALDH1A1 (0.34) KMT2AALDH1A1MAPTKDM4ESLC6A4
SCHEMBL4028033 0.86 KDM2B (0.40) KDM2BKMT2AALDH1A1HTTDRD4
SCHEMBL4022832 0.85 KDM2B (0.43) KDM2BKMT2ACCR3KDM4EHTT
SCHEMBL4029178 0.85 KDM2B (0.43) KDM2BKMT2ACCR3KDM4EHTT
SCHEMBL4024193 0.85 KDM2B (0.43) KDM2BKMT2ACCR3KDM4EHTT
SCHEMBL4025347 0.84 KIF11 (0.37) ALDH1A1KDM4EDRD2DRD4
SCHEMBL13721664 0.84 L3MBTL1 (0.43) KDM2BKMT2AALDH1A1HTT

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed