SCHEMBL6052504

SCHEMBL6052504

COc1ccc(-n2ncc(C(=O)Nc3ccc(N4CCC(N5CCOCC5)CC4)c(C#N)c3)c2C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 6/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK10 P53779 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
JAK2 O60674 3/20 0.43
TBK1 Q9UHD2 3/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
PDE4A P27815 2/20 0.42

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
SCHEMBL6052485 0.91 MAPT (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7058698 0.90 MAPT (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6052330 0.89 NPC1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
Water SCHEMBL6052257 0.88 NR1H4 (0.43) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6052420 0.88 NR1H4 (0.45) NPC1RAB9AMAPTMEN1KMT2A
Water SCHEMBL6052740 0.88 NR1H4 (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6052406 0.88 NR1H4 (0.43) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6052674 0.88 ALDH1A1 (0.43) NPC1RAB9AMAPTMEN1KMT2A
Water SCHEMBL6052467 0.88 NPC1 (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6052306 0.88 NPC1 (0.45) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US claimed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP claimed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed