SCHEMBL7574989

SCHEMBL7574989

COc1ccc(NC(C(=O)O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 6/20 0.61
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPK1 P28482 1/20 0.61
AKR1C3 P42330 5/20 0.59
AKR1C2 P52895 5/20 0.59
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
AKR1B10 O60218 2/20 0.54
AKR1B1 P15121 2/20 0.54
AKR1C4 P17516 2/20 0.54
AKR1C1 Q04828 2/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49

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
SCHEMBL7573365 0.87 MAPT (0.61) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL7573984 0.82 CRHBP (0.50) MAPTMAPK1ALDH1A1CRHBPCRHR2
SCHEMBL7576552 0.80 MEN1 (0.51) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL29160955 0.79 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL14764687 0.79 MEN1 (0.57) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL29160956 0.79 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL2488724 0.78 KMT2A (0.57) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL13240813 0.78 KMT2A (0.57) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL7583883 0.78 LMNA (0.58) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL3322365 0.78 MAPT (0.56) RAB9ANPC1MAPTSMN1; SMN2MAPK1

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