SCHEMBL7689987

SCHEMBL7689987

O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2cccnc2c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.64
KCNMA1 Q12791 1/20 0.61
NFKBIA P25963 1/20 0.52
RELA Q04206 1/20 0.52
SLC40A1 Q9NP59 1/20 0.52
TRPV1 Q8NER1 1/20 0.48
P2RX1 P51575 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
KDR P35968 1/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP2 P08253 1/20 0.44
POLB P06746 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL7683136 0.83 EGLN1 (0.62) EGLN1KCNMA1ALDH1A1LMNAMAPT
SCHEMBL7691461 0.82 EGLN1 (0.56) EGLN1ALDH1A1LMNAMAPTHTT
SCHEMBL7691587 0.82 EGLN1 (0.63) EGLN1SLC40A1PKMLMNAMAPT
SCHEMBL7687096 0.82 EGLN1 (0.69) EGLN1TRPV1MAPTKDRMEN1
SCHEMBL7689324 0.79 EGLN1 (0.66) EGLN1ALDH1A1LMNAMAPTHTT
SCHEMBL19347362 0.79 EGLN1 (1.00) EGLN1TRPV1P2RX1ALDH1A1MAPT
SCHEMBL7686886 0.78 EGLN1 (0.77) EGLN1P2RX1ALDH1A1LMNAMAPT
SCHEMBL8311076 0.78 EGLN1 (0.80) EGLN1P2RX1ALDH1A1MAPTKDR
SCHEMBL7691468 0.78 KDR (0.57) EGLN1ALDH1A1LMNAMAPTHTT
SCHEMBL28105311 0.77 SLC40A1 (0.69) NFKBIARELASLC40A1LMNAMAPT

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 9 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
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