SCHEMBL19299526

SCHEMBL19299526

Nc1ccc(-c2cccc(-c3cccc4c3C(=O)c3ccccc3-4)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
APAF1 O14727 2/20 0.50
PTBP1 P26599 2/20 0.50
HTT P42858 2/20 0.50
GALK1 P51570 2/20 0.50
BLM P54132 2/20 0.50
SMAD3 P84022 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.50
XBP1 P17861 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.47
PTPRC P08575 2/20 0.47

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
SCHEMBL19001705 0.88 MAPT (0.58) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL19299391 0.85 PTPRC (0.52) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL21498269 0.84 LMNA (0.50) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL19299465 0.77 MEN1 (0.50) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL24945475 0.77 HSD17B10 (0.62) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL978805 0.77 MAPT (0.57) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL22182158 0.76 TDP2 (0.51) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL16601827 0.75 NPC1 (0.70) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL17463730 0.75 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL19299407 0.75 LMNA (0.47) NPC1RAB9ASMN1; SMN2LMNAMEN1

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-3419960-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-01 EP disclosed
WO-2017144150-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-31 WO disclosed