SCHEMBL7950782

SCHEMBL7950782

O=C(NCCNc1ccc([N+](=O)[O-])cn1)c1ccc2cccnc2c1O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 12/20 0.53
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ KDR P35968 1/20 0.43

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
SCHEMBL7689313 0.79 EGLN1 (0.72) EGLN1ALDH1A1KDR
SCHEMBL7683260 0.76 EGLN1 (0.71) EGLN1POLBALDH1A1KDR
SCHEMBL29395449 0.75 POLB (0.63) POLBALDH1A1MAPK8DPP4MKNK1
SCHEMBL7994938 0.74 POLB (0.62) POLBALDH1A1MAPK8DPP4MKNK1
SCHEMBL7684585 0.73 RAB9A (0.56) EGLN1ALDH1A1KDR
SCHEMBL7690027 0.73 EGLN1 (0.66) EGLN1POLBALDH1A1KDR
SCHEMBL7233175 0.73 GAA (0.65) POLBALDH1A1MAPK8DPP4
SCHEMBL7692718 0.73 KCNMA1 (0.59) EGLN1POLBALDH1A1KDR
SCHEMBL6697154 0.72 ALDH1A1 (0.63) POLBALDH1A1MAPK8DPP4MKNK1
SCHEMBL13947445 0.72 POLB (0.60) POLBALDH1A1MAPK8DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6211376-B1 HERPES VIRUS, CYTOMEGALO VIRUS, VARICELLA-ZOSTER VIRUS,EPSTEIN-BARR VIRUS PHARMACIA & UPJOHN COMPANY 2001-04-03 — — US disclosed
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