SCHEMBL19001850

SCHEMBL19001850

O=C1c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.78
RAB9A P51151 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
APAF1 O14727 2/20 0.78
LMNA P02545 2/20 0.78
PTBP1 P26599 2/20 0.78
HTT P42858 2/20 0.78
GALK1 P51570 2/20 0.78
BLM P54132 2/20 0.78
SMAD3 P84022 2/20 0.78
NPSR1 Q6W5P4 2/20 0.78
MAPT P10636 1/20 0.78
THRB P10828 1/20 0.78
XBP1 P17861 1/20 0.78
ATM Q13315 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
PTPRC P08575 9/20 0.55
PTPN1 P18031 4/20 0.55

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
SCHEMBL19001853 0.96 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15857705 0.96 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7322266 0.96 MEN1 (0.84) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1482692 0.96 MEN1 (0.84) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21993324 0.94 NPC1 (0.80) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30722379 0.94 NPC1 (0.80) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL57813 0.94 NPC1 (0.80) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL978978 0.92 NPC1 (0.92) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22797321 0.92 MEN1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28198235 0.92 MEN1 (0.92) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-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