SCHEMBL7583883

SCHEMBL7583883

COc1cc([N+](=O)[O-])ccc1NC(C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
KCNMA1 Q12791 1/20 0.55
EPHX1 P07099 2/20 0.55
ALDH1A1 P00352 5/20 0.54
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL7574996 0.90 MEN1 (0.66) LMNAPKMHTTKMT2AMEN1
SCHEMBL7584758 0.82 CXCR2 (0.56) LMNAPKMHTTKMT2AMEN1
SCHEMBL9953691 0.82 KDM4E (0.53) LMNAHTTKMT2AMEN1MAPT
SCHEMBL14398180 0.80 CRHBP (0.48) LMNAPKMHTTKMT2AMEN1
SCHEMBL7573344 0.80 CXCR2 (0.56) LMNAHTTKMT2AMEN1MAPT
SCHEMBL2488262 0.79 TDP1 (0.51) LMNAHTTKMT2AMEN1MAPT
SCHEMBL13240794 0.79 TDP1 (0.51) LMNAHTTKMT2AMEN1MAPT
SCHEMBL7585239 0.79 KMT2A (0.57) LMNAHTTKMT2AMEN1MAPT
SCHEMBL7574989 0.78 RAB9A (0.61) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL124625 0.78 HTT (0.63) LMNAPKMHTTKMT2AMAPT

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