SCHEMBL19720304

SCHEMBL19720304

Cc1cc(C)c(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2c(C)cccc2C)C6=O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.54
ANPEP P15144 2/20 0.54
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
USP2 O75604 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TERT O14746 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
TLR9 Q9NR96 1/20 0.38
RGS12 O14924 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6268625 0.94 DPP4 (0.44) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL29544415 0.94 DPP4 (0.44) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL272816 0.92 DPP4 (0.57) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL29396950 0.92 DPP4 (0.57) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL9965694 0.88 DPP4 (0.51) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL14582061 0.87 DPP4 (0.49) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL23135497 0.85 DPP4 (0.55) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL12021927 0.85 DPP4 (0.64) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL13498710 0.85 MEN1 (0.51) DPP4ANPEPMEN1KMT2AALDH1A1
SCHEMBL14867471 0.81 DPP4 (0.47) 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 1 patent. 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