SCHEMBL7688581

SCHEMBL7688581

O=C(NCC1CCCc2ccccc21)c1ccc2cccnc2c1O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 13/20 0.54
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
KDM4C Q9H3R0 3/20 0.47
KDM5A P29375 2/20 0.47
KDM5B Q9UGL1 2/20 0.47
ALDH1A1 P00352 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44

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
SCHEMBL15661334 0.81 KDM4C (0.45) KDM4CKDM5AKDM5BALDH1A1TAS1R3
SCHEMBL4067984 0.80 MTNR1A (0.43) EGLN1PRMT5WDR77KDM4CKDM5A
SCHEMBL4062971 0.79 TAS1R3 (0.58) EGLN1PRMT5WDR77ALDH1A1TAS1R3
SCHEMBL2202413 0.78 EGLN1 (0.62) EGLN1ALDH1A1
SCHEMBL6084180 0.73 NPC1 (0.49) KDM4CKDM5AKDM5B
SCHEMBL14284642 0.72 KDM4C (0.45) KDM4CKDM5AKDM5BTAS1R3TAS1R1
SCHEMBL1568036 0.72 KDM4C (0.53) KDM4CKDM5AKDM5BALDH1A1
SCHEMBL11885568 0.72 KDM4C (0.42) KDM4CKDM5AKDM5BTAS1R3TAS1R1
SCHEMBL2109726 0.71 ALDH1A1 (0.61) ALDH1A1TAS1R3TAS1R1
SCHEMBL9499593 0.71 HTR6 (0.65) KDM4CKDM5AKDM5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6500842-B1 N-((4-CHLOROPHENYL)METHYL)-8-HYDROXY-7-QUINOLINECARBOXAMIDE ADMINISTERED AS VIRICIDES AGAINST HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-12-31 US claimed
US-6310211-B1 ANTI-VIRAL ACTIVITY AGAINST HERPES VIRUS, CYTOMEGALOVIRUS. MANY OF THESE COMPOUNDS ARE ALSO ACTIVE AGAINST VARICELLA ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HERPES SIMPLEX VIRUS AND HUMAN HERPES VIRUS TYPE 8 PHARMACIA & UPJOHN COMPANY 2001-10-30 US claimed
EP-0927164-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-07 EP claimed
WO-1998011073-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-03-19 WO claimed
US-6500842-B1 N-((4-CHLOROPHENYL)METHYL)-8-HYDROXY-7-QUINOLINECARBOXAMIDE ADMINISTERED AS VIRICIDES AGAINST HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed
US-6310211-B1 ANTI-VIRAL ACTIVITY AGAINST HERPES VIRUS, CYTOMEGALOVIRUS. MANY OF THESE COMPOUNDS ARE ALSO ACTIVE AGAINST VARICELLA ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HERPES SIMPLEX VIRUS AND HUMAN HERPES VIRUS TYPE 8 PHARMACIA & UPJOHN COMPANY 2001-10-30 US disclosed
US-6252080-B1 HERPES, CYTOMEGALO VIRUS PHARMACIA & UPJOHN COMPANY 2001-06-26 US disclosed
US-6211376-B1 HERPES VIRUS, CYTOMEGALO VIRUS, VARICELLA-ZOSTER VIRUS,EPSTEIN-BARR VIRUS PHARMACIA & UPJOHN COMPANY 2001-04-03 US disclosed
EP-0927164-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-07 EP disclosed
WO-1998011073-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-03-19 WO disclosed