SCHEMBL7574039

SCHEMBL7574039

O=C(O)C(Nc1c(Br)cccc1Br)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.47
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
RPS6KB1 P23443 2/20 0.42
AURKA O14965 1/20 0.42
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL28355542 0.89 FPR2 (0.42) FPR2CA1CA2RPS6KB1AURKA
SCHEMBL7582089 0.84 FPR2 (0.46) FPR2CA1CA2CYP2D6SRC
SCHEMBL7576115 0.80 KMT2A (0.46) FPR2CYP2D6SRCRPS6KB1AURKA
SCHEMBL360635 0.80 CXCL8 (0.45) FPR2CA1CA2CYP2D6SRC
SCHEMBL2485161 0.80 MEN1 (0.45) FPR2CYP2D6SRCRPS6KB1AURKA
SCHEMBL11271011 0.79 CXCL8 (0.44) FPR2CA1CA2CYP2D6SRC
SCHEMBL6809250 0.79 CXCL8 (0.44) FPR2CA1CA2CYP2D6SRC
Ammonia Solution, Strong SCHEMBL17997772 0.79 MEN1 (0.44) FPR2CYP2D6SRCRPS6KB1AURKA
SCHEMBL7582497 0.77 HTT (0.49) CYP2D6RPS6KB1AURKALMNAALDH1A1
SCHEMBL7583413 0.76 FPR2 (0.67) FPR2LMNAALDH1A1

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