SCHEMBL7104510

SCHEMBL7104510

CC(=O)c1cc(C(=O)O)ncc1CO[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 11/20 0.39
KDM8 Q8N371 10/20 0.39
KDM4E B2RXH2 9/20 0.39
RIOX2 Q8IUF8 7/20 0.35
LMNA P02545 2/20 0.33
P4HTM Q9NXG6 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL12861007 0.69 PTGS2 (0.44) KDM4ELMNANPC1ALDH1A1SMN1; SMN2
SCHEMBL7104473 0.69 ALOX15 (0.39) LMNANPC1RAB9AALDH1A1
SCHEMBL9318375 0.68 ASPH (0.56) ASPHKDM8KDM4ERIOX2LMNA
SCHEMBL2960866 0.64 TP53 (0.50) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3631706 0.63 ALDH1A1 (0.48) KDM4ELMNAALDH1A1HCAR2
SCHEMBL27581275 0.62 KDM4E (0.52) KDM4ELMNAALDH1A1
SCHEMBL19857498 0.61 GABRP (0.66) ASPHKDM8KDM4ERIOX2LMNA
SCHEMBL31220850 0.61 KDM4E (0.47) ASPHKDM8KDM4ELMNAP4HTM
SCHEMBL15043886 0.61 TSHR (0.51) ASPHKDM8KDM4ELMNAP4HTM
SCHEMBL5252545 0.61 TSHR (0.51) ASPHKDM8KDM4EP4HTMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO disclosed