SCHEMBL4749372

SCHEMBL4749372

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCCN(C)C)C[C@@H]1c1cc[c]cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 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
SCHEMBL4749375 1.00 MEN1 (0.31) MEN1KMT2AMAPK1
SCHEMBL4751647 0.93 KIF11 (0.31) MEN1KMT2A
SCHEMBL4751648 0.93 KIF11 (0.31) MEN1KMT2A
SCHEMBL4749257 0.93 KIF11 (0.32)
SCHEMBL4749253 0.93 KIF11 (0.32)
SCHEMBL4751959 0.92 KIF11 (0.33)
SCHEMBL4751996 0.92 KIF11 (0.31) MEN1KMT2A
SCHEMBL4751340 0.91 KIF11 (0.31) MEN1KMT2A
SCHEMBL4025347 0.88 KIF11 (0.37)
SCHEMBL4748982 0.87 KIF11 (0.32) MEN1KMT2A

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