SCHEMBL8083034

SCHEMBL8083034

O=C(O)CNc1ccccc1C(=O)CNc1ccccc1C(=O)CNc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AKR1C3 P42330 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
FABP4 P15090 1/20 0.41
ABAT P80404 1/20 0.40
PARP1 P09874 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL8086091 1.00 AGTR1 (0.57) AGTR1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10536918 0.91 AGTR1 (0.51) AGTR1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10538106 0.90 AGTR1 (0.57) AGTR1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10540415 0.90 AGTR1 (0.50) AGTR1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10541904 0.86 NPC1 (0.61) AGTR1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10541374 0.85 KDM4E (0.55) AGTR1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10540484 0.84 KDM4E (0.54) AGTR1RAB9AKDM4EALDH1A1HPGD
SCHEMBL41828 0.82 ABAT (0.53) AGTR1RAB9AKDM4EALDH1A1HPGD
SCHEMBL1330698 0.82 ABAT (0.53) AGTR1RAB9AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3069393 0.82 ABAT (0.53) AGTR1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038533-A1 MEDICINAL COMPOSITIONS FOR TREATING IMMUNODEFICIENCY DISEASES Nippon Kayaku Kabushiki Kaisha (JP) 2000-09-27 EP disclosed
EP-0347820-B1 NOVEL SPERGUALIN-RELATED COMPOUNDS AND PREPARATION AND APPLICATION OF THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1993-04-21 EP disclosed
US-5061787-A IMMUNOSUPPRESSANTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-29 US disclosed
EP-0241797-B1 NOVEL SPERGUALIN-RELATED COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1991-06-12 EP disclosed
US-4956504-A IMMUNOMODULATORS, ANTIBIOTICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1990-09-11 US disclosed
EP-0309971-A2 New spergualin-related compound and pharmaceutical composition ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-04-05 EP disclosed
EP-0241797-A2 Novel spergualin-related compounds and process for producing the same MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-10-21 EP disclosed