SCHEMBL8730261

SCHEMBL8730261

CC(C)(C)OC(=O)NCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(C(F)(F)F)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.47
DRD3 P35462 1/20 0.40
PIK3CG P48736 1/20 0.39
ALDH1A1 P00352 9/20 0.39
HPGD P15428 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 6/20 0.38
ADRA2B P18089 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
GLA P06280 1/20 0.38
PDPK1 O15530 1/20 0.37
CCNB2 O95067 1/20 0.37
PRKCB P05771 1/20 0.37
CDK1 P06493 1/20 0.37
LYN P07948 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 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
SCHEMBL8735578 0.92 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8733910 0.86 KDM4E (0.55) KDM4EDRD3PIK3CGALDH1A1HPGD
SCHEMBL8059291 0.84 KDM4E (0.62) KDM4EDRD3PIK3CGALDH1A1HPGD
SCHEMBL8057366 0.83 KDM4E (0.53) KDM4EDRD3PIK3CGALDH1A1HPGD
SCHEMBL8057434 0.80 KDM4E (0.50) KDM4EDRD3PIK3CGALDH1A1HPGD
SCHEMBL8058583 0.78 KDM4E (0.48) KDM4EDRD3PIK3CGALDH1A1HPGD
SCHEMBL8064229 0.76 KDM4E (0.48) KDM4EDRD3PIK3CGALDH1A1HPGD
SCHEMBL8064088 0.76 KDM4E (0.58) KDM4EDRD3PIK3CGALDH1A1HPGD
SCHEMBL8733605 0.75 STAT3 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8059277 0.75 KDM4E (0.49) KDM4EDRD3PIK3CGALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed