SCHEMBL7969151

SCHEMBL7969151

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2cccnc2c1O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 12/20 0.69
GRM4 Q14833 1/20 0.56
PSD A5PKW4 1/20 0.54
KDR P35968 1/20 0.54
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
PTGS1 P23219 1/20 0.52
TBXAS1 P24557 1/20 0.52
MAPK1 P28482 1/20 0.52
PTGS2 P35354 1/20 0.52
MAPK14 Q16539 1/20 0.52
MAPT P10636 1/20 0.51
PLEC Q15149 1/20 0.51

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
Hydrochloric Acid SCHEMBL7691594 0.99 EGLN1 (0.67) EGLN1GRM4PSDKDRALDH1A1
SCHEMBL19347364 0.91 EGLN1 (0.66) EGLN1PSDALDH1A1NPC1HTT
Hydrochloric Acid SCHEMBL7686856 0.89 EGLN1 (0.70) EGLN1PSDKDRALDH1A1MAPT
SCHEMBL7685082 0.86 EGLN1 (0.78) EGLN1KDRALDH1A1NPC1RAB9A
SCHEMBL7953380 0.85 EGLN1 (0.73) EGLN1GRM4PSDKDRALDH1A1
Hydrochloric Acid SCHEMBL7691643 0.85 EGLN1 (0.76) EGLN1KDRALDH1A1NPC1RAB9A
SCHEMBL7965479 0.85 EGLN1 (0.72) EGLN1PSDKDRALDH1A1
Hydrochloric Acid SCHEMBL7690422 0.84 EGLN1 (0.71) EGLN1GRM4PSDKDRALDH1A1
Hydrochloric Acid SCHEMBL7690327 0.84 EGLN1 (0.70) EGLN1PSDKDRALDH1A1
Hydrochloric Acid SCHEMBL7689878 0.82 EGLN1 (0.67) EGLN1ALDH1A1NPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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