SCHEMBL7574185

SCHEMBL7574185

O=C(O)C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
NPC1 O15118 1/20 0.53
MITF O75030 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
CA1 P00915 2/20 0.50
CA12 O43570 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MAPT P10636 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
SCHEMBL9298628 0.94 ALOX12 (0.57) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL9298632 0.94 ALOX12 (0.57) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL7584383 0.86 ALOX5 (0.50) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL7582132 0.84 ALDH1A1 (0.57) L3MBTL1MEN1KMT2ANPC1POLB
SCHEMBL2483521 0.81 FPR2 (0.49) POLBCA1CA12MAPTALDH1A1
SCHEMBL146704 0.81 FPR2 (0.49) POLBCA1CA12MAPTALDH1A1
SCHEMBL2483519 0.81 FPR2 (0.49) POLBCA1CA12MAPTALDH1A1
SCHEMBL29283511 0.80 CA1 (0.65) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL28156078 0.80 HPGD (0.59) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL28534876 0.79 FPR2 (0.47) KMT2APOLBCA1CA12MAPT

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