SCHEMBL8654591

SCHEMBL8654591

[O]c1c(-c2ccccc2)ccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
KDR P35968 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
SRD5A2 P31213 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ANPEP P15144 2/20 0.39
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 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
SCHEMBL70992 0.80 PNMT (0.53) PNMTKDRADORA2AADORA1NPC1
SCHEMBL29809707 0.80 PNMT (0.53) PNMTKDRADORA2AADORA1NPC1
SCHEMBL29401802 0.80 PNMT (0.53) PNMTKDRADORA2AADORA1NPC1
SCHEMBL150217 0.79 ADORA2A (0.47) PNMTKDRADORA2AADORA1SRD5A2
SCHEMBL29766669 0.79 ADORA2A (0.47) PNMTKDRADORA2AADORA1SRD5A2
Bromide SCHEMBL15404509 0.79 PNMT (0.52) PNMTKDRADORA2AADORA1NPC1
SCHEMBL27718430 0.79 PNMT (0.52) PNMTKDRADORA2AADORA1NPC1
SCHEMBL31413938 0.79 PNMT (0.52) PNMTKDRADORA2AADORA1NPC1
SCHEMBL2594421 0.79 PNMT (0.52) PNMTKDRADORA2AADORA1NPC1
SCHEMBL18243593 0.78 PNMT (0.43) PNMTSRD5A2NPC1RAB9AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807837-A ADMINISTERING TO TREAT HIV INFECTIONS TO INHIBIT THE REPLICATION OF FOREIGN NUCLEIC ACIDS IN A NORMAL CELL SANKYO COMPANY, LIMITED (JP) 1998-09-15 US claimed
US-5674856-A TREATMENT AND PROPHYLAXIS OF VIRAL INFECTIONS, INCLUDING AIDS AND TUMORS SANKYO COMPANY, LIMITED (JP) 1997-10-07 US claimed
EP-0611075-B1 Modified oligodeoxyribonucleotides, their preparation and their therapeutic use SANKYO CO (JP) 1996-12-18 EP claimed
EP-0611075-A1 Modified oligodeoxyribonucleotides, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-08-17 EP claimed
US-5807837-A ADMINISTERING TO TREAT HIV INFECTIONS TO INHIBIT THE REPLICATION OF FOREIGN NUCLEIC ACIDS IN A NORMAL CELL SANKYO COMPANY, LIMITED (JP) 1998-09-15 US disclosed
US-5674856-A TREATMENT AND PROPHYLAXIS OF VIRAL INFECTIONS, INCLUDING AIDS AND TUMORS SANKYO COMPANY, LIMITED (JP) 1997-10-07 US disclosed
EP-0611075-B1 Modified oligodeoxyribonucleotides, their preparation and their therapeutic use SANKYO CO (JP) 1996-12-18 EP disclosed
EP-0611075-A1 Modified oligodeoxyribonucleotides, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-08-17 EP disclosed