SCHEMBL4751333

SCHEMBL4751333

Cc1c(F)cccc1C1C(C(=O)c2ccc(F)cc2)CN(CCCCN(C)C)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
MGLL Q99685 2/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR2A P28223 3/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2C P28335 1/20 0.35
HSD11B1 P28845 2/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL4751837 1.00 MEN1 (0.38) MEN1KMT2AMAPK1MGLLGRIN1
SCHEMBL4749232 0.96 MGLL (0.37) MEN1KMT2AMGLLGRIN1GRIN2B
SCHEMBL4749225 0.96 MGLL (0.37) MEN1KMT2AMGLLGRIN1GRIN2B
SCHEMBL4025347 0.96 KIF11 (0.37) DRD2KIF11
SCHEMBL4749359 0.95 MGLL (0.41) MEN1KMT2AMGLLHTR2ADRD2
SCHEMBL4752854 0.95 MGLL (0.41) MEN1KMT2AMGLLHTR2ADRD2
SCHEMBL4749456 0.95 KIF11 (0.39) MEN1KMT2AMGLLKIF11
SCHEMBL4749461 0.95 KIF11 (0.39) MEN1KMT2AMGLLKIF11
SCHEMBL4023151 0.95 HTR7 (0.37) DRD2KIF11
SCHEMBL4749478 0.94 KIF11 (0.35) MEN1KMT2AMGLLDRD2KIF11

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