SCHEMBL9965694

SCHEMBL9965694

Cc1cccc(C)c1N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1c(C)cc(I)cc1C)C5=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.51
ANPEP P15144 2/20 0.51
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 3/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
TLR9 Q9NR96 1/20 0.36
RGS12 O14924 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL272816 0.89 DPP4 (0.57) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL29396950 0.89 DPP4 (0.57) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL19720304 0.88 DPP4 (0.54) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL23135497 0.83 DPP4 (0.55) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL12021927 0.83 DPP4 (0.64) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL13498710 0.82 MEN1 (0.51) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL6268625 0.82 DPP4 (0.44) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL29544415 0.82 DPP4 (0.44) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL14867471 0.78 DPP4 (0.47) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL23135498 0.78 DPP4 (0.41) DPP4ANPEPMEN1KMT2AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652082-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
EP-2652082-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
US-9193902-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-11-24 US disclosed
US-9193902-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-11-24 US disclosed
US-20130261098-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
US-20130261098-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
US-20130261098-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
WO-2012079673-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed