SCHEMBL5176095

SCHEMBL5176095

Cc1ccc(C2=C(c3ccc(N(c4ccc(C5=C(c6ccc(C)cc6)c6ccccc6[C@H]5c5ccc(C)cc5)cc4)c4ccc(C5=C(c6ccc(C)cc6)c6ccccc6[C@H]5c5ccc(C)cc5)cc4)cc3)[C@H](c3ccc(C)cc3)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.33
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PRCP P42785 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL12973434 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTPRCP
SCHEMBL232990 0.75 LMNA (0.41) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL24031473 0.73 MAPT (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL17852151 0.72 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15801645 0.72 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL16545684 0.71 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL12637530 0.71 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTPRCP
SCHEMBL30368601 0.71 ALDH1A1 (0.42) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL8412884 0.71 MEN1 (0.61) MEN1KMT2APRCPTNKS2
SCHEMBL29605241 0.71 MEN1 (0.61) MEN1KMT2APRCPTNKS2

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
EP-1817272-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058737-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2006-06-08 WO disclosed