SCHEMBL19001968

SCHEMBL19001968

c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(-c5ccccc5)ccc43)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
XBP1 P17861 1/20 0.38
PTBP1 P26599 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP2 O95551 1/20 0.33

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
SCHEMBL15213593 0.97 PDK2 (0.40) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL17854678 0.96 PDK2 (0.43) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL19533803 0.96 PDK2 (0.46) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL24750437 0.96 PDK2 (0.39) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL25563537 0.96 PDK2 (0.39) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL23666556 0.96 PDK2 (0.46) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL24647042 0.96 PDK2 (0.39) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL19001891 0.96 PDK2 (0.46) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL17854685 0.96 PDK2 (0.39) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL25563603 0.96 PDK2 (0.39) PDK2MAPTMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108986-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-04-06 US disclosed
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed