SCHEMBL7582089

SCHEMBL7582089

O=C(O)C(Nc1ccccc1Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
EGFR P00533 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL7574039 0.84 FPR2 (0.47) FPR2LMNACA1CA2CYP2D6
SCHEMBL7585358 0.83 FPR2 (0.49) FPR2LMNAKMT2ARAB9AMEN1
SCHEMBL7577631 0.83 FPR2 (0.49) FPR2LMNAKMT2ARAB9AMEN1
SCHEMBL7575977 0.80 GAA (0.54) FPR2LMNAKMT2AHTTRAB9A
SCHEMBL13241014 0.79 GAA (0.50) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL2483409 0.79 RAB9A (0.48) HTTRAB9ANPC1EGFRCYP2D6
SCHEMBL2484664 0.79 GAA (0.50) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL6244215 0.79 KCNQ2 (0.53) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL7574899 0.79 CYP2D6 (0.41) FPR2LMNAKMT2AMEN1CA1
SCHEMBL16664407 0.79 GAA (0.50) LMNAKMT2AHTTRAB9AMEN1

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