SCHEMBL14435010

SCHEMBL14435010

CN(C)C1CC(C(=O)Nc2ccc3c(c2)CCNCC3)N(C(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MELK Q14680 3/20 0.51
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SLC2A1 P11166 1/20 0.37
KLKB1 P03952 1/20 0.35
CFD P00746 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL12371474 0.90 RAB9A (0.40) MELKKDM4EMEN1KMT2ACFD
SCHEMBL14435007 0.87 MELK (0.49) MELKKDM4EMEN1KMT2ASLC2A1
SCHEMBL12371463 0.85 MELK (0.51) MELKKDM4EMEN1KMT2ASLC2A1
SCHEMBL14434240 0.85 MELK (0.51) MELKKDM4EMEN1KMT2ASLC2A1
SCHEMBL14435246 0.81 MELK (0.47) MELKKDM4EMEN1KMT2ASLC2A1
SCHEMBL14435008 0.79 MELK (0.55) MELKKDM4EMEN1KMT2ASLC2A1
SCHEMBL12371475 0.77 NPC1 (0.39) MELKKDM4EMEN1KMT2ACFD
SCHEMBL12371476 0.77 NPC1 (0.39) MELKKDM4EMEN1KMT2ACFD
SCHEMBL8471194 0.77 MEN1 (0.53) MELKKDM4EMEN1KMT2AKLKB1
SCHEMBL12371426 0.77 MEN1 (0.53) MELKKDM4EMEN1KMT2AKLKB1

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-2007093595-A1 SUBSTITUTED PROLINAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO disclosed