SCHEMBL7615703

SCHEMBL7615703

O=C(Nc1ccc([N+](=O)[O-])cc1)N(O)C1CCCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.60
▸ GAA P10253 3/20 0.60
▸ NAMPT P43490 1/20 0.56
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ PTGES O14684 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MYOC Q99972 1/20 0.49
▸ ATM Q13315 1/20 0.47

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
SCHEMBL7770084 0.82 EPHX1 (0.53) EPHX1GAANAMPTKMT2AMEN1
SCHEMBL7770090 0.82 EPHX1 (0.53) EPHX1GAANAMPTKMT2AMEN1
SCHEMBL8635338 0.82 EPHX1 (0.53) EPHX1GAANAMPTKMT2AMEN1
SCHEMBL7614096 0.80 ATM (0.69) EPHX1GAAKMT2AALDH1A1MAPT
SCHEMBL7620949 0.80 ATM (0.69) EPHX1GAAKMT2AALDH1A1MAPT
SCHEMBL7613507 0.79 ATM (0.67) EPHX1GAAKMT2AMEN1ALDH1A1
SCHEMBL9257537 0.78 DCUN1D1 (0.52) EPHX1GAANAMPTKMT2AMEN1
SCHEMBL28649332 0.78 NAMPT (0.85) EPHX1GAANAMPTKMT2AMEN1
SCHEMBL7612583 0.77 ATM (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7617068 0.77 RAB9A (0.58) EPHX1ALDH1A1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 — — EP claimed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 — — EP claimed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 — — WO claimed
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 — — EP disclosed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 — — EP disclosed
US-5612377-A OXYUREA DERIVATIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-03-18 — — US disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 — — WO disclosed
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