SCHEMBL4752869

SCHEMBL4752869

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CN(C)C2)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
OPRM1 P35372 1/20 0.38
MAPK1 P28482 1/20 0.38
MGLL Q99685 4/20 0.34
SLC2A1 P11166 1/20 0.33
SLC2A4 P14672 1/20 0.33

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
SCHEMBL4751351 1.00 MEN1 (0.40) MEN1KMT2AOPRM1MAPK1MGLL
SCHEMBL4749392 0.92 MGLL (0.36) MEN1KMT2AOPRM1MGLL
SCHEMBL4018836 0.91 GRIN1 (0.38) MEN1KMT2AMAPK1MGLL
SCHEMBL4749224 0.88 OPRM1 (0.35) MEN1KMT2AOPRM1MAPK1MGLL
SCHEMBL4749242 0.88 OPRM1 (0.35) MEN1KMT2AOPRM1MAPK1MGLL
SCHEMBL4022030 0.88 MEN1 (0.34) MEN1KMT2AOPRM1MAPK1MGLL
SCHEMBL4021646 0.88 MC4R (0.36) MEN1KMT2AOPRM1MGLL
SCHEMBL4749182 0.87 MGLL (0.39) MEN1KMT2AMAPK1MGLL
SCHEMBL4805388 0.87 MGLL (0.39) MEN1KMT2AMAPK1MGLL
SCHEMBL4751652 0.87 MGLL (0.39) MEN1KMT2AMAPK1MGLL

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