SCHEMBL5734604

SCHEMBL5734604

BrCCOc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
TTR P02766 1/20 0.59
SMN1; SMN2 Q16637 10/20 0.57
NPC1 O15118 7/20 0.57
GPR55 Q9Y2T6 1/20 0.56
RAB9A P51151 7/20 0.56
TP53 P04637 6/20 0.56
MAPT P10636 6/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
NFKB1 P19838 4/20 0.56
NFKB2 Q00653 4/20 0.56
RELA Q04206 4/20 0.56
MAPK1 P28482 3/20 0.56
HSD17B10 Q99714 4/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PKM P14618 1/20 0.52
CHUK O15111 1/20 0.52
CASP3 P42574 1/20 0.52

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
SCHEMBL7957028 0.86 RAB9A (0.59) NPSR1TTRSMN1; SMN2NPC1GPR55
Irampanel SCHEMBL678128 0.83 HTR7 (0.63) NPSR1TTRSMN1; SMN2NPC1GPR55
SCHEMBL7954795 0.83 NPSR1 (0.55) NPSR1TTRSMN1; SMN2NPC1GPR55
Irampanel SCHEMBL6879876 0.82 HTR7 (0.62) NPSR1TTRSMN1; SMN2NPC1GPR55
SCHEMBL7947863 0.81 NPSR1 (0.56) NPSR1TTRSMN1; SMN2NPC1GPR55
SCHEMBL5733546 0.80 NPSR1 (0.52) NPSR1TTRSMN1; SMN2NPC1GPR55
SCHEMBL7957021 0.80 KDM4E (0.58) NPSR1TTRSMN1; SMN2NPC1GPR55
SCHEMBL7954738 0.80 NPSR1 (0.57) NPSR1TTRSMN1; SMN2NPC1GPR55
SCHEMBL7947720 0.80 MAPT (0.59) NPSR1TTRSMN1; SMN2NPC1GPR55
SCHEMBL7962009 0.79 KDM4E (0.60) NPSR1TTRSMN1; SMN2NPC1GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934288-B1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-04 EP disclosed
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed
EP-0934288-A1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-08-11 EP disclosed
WO-1998017652-A1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-04-30 WO disclosed