SCHEMBL7585239

SCHEMBL7585239

O=C(O)C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
MAPT P10636 6/20 0.57
LMNA P02545 4/20 0.57
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
RORC P51449 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7573344 0.85 CXCR2 (0.56) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7584758 0.83 CXCR2 (0.56) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7574996 0.81 MEN1 (0.66) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL14398180 0.81 CRHBP (0.48) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2483532 0.80 ULK1 (0.47) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL12071889 0.80 ULK1 (0.47) KMT2AMEN1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL1695681 0.79 ULK1 (0.46) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7583883 0.79 LMNA (0.58) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7574185 0.77 HPGD (0.57) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7582132 0.77 ALDH1A1 (0.57) KMT2AMEN1MAPTALDH1A1MAPK1

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-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed