SCHEMBL4776567

SCHEMBL4776567

N=C(N)NC(CC(N)=O)c1cccc(-c2nc(CCCc3ccccc3)cc(OCCc3ccccc3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.39
PTGES O14684 4/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
DCAF1 Q9Y4B6 5/20 0.36
LTB4R Q15722 1/20 0.36
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PPARG P37231 5/20 0.35
PSEN1 P49768 1/20 0.35
F9 P00740 1/20 0.34
MAPT P10636 3/20 0.34
XBP1 P17861 2/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL4776562 0.76 MMP2 (0.42) MAPT
SCHEMBL4776784 0.76 C5AR1 (0.37) ALOX5PPARGF9MAPTKMT2A
SCHEMBL4778137 0.71 ALDH1A1 (0.48) LTB4RMAPTKMT2A
SCHEMBL4780655 0.63 ALDH1A1 (0.46) ALOX5PTGESMAPTKMT2A
SCHEMBL14303803 0.63 MAPT (0.46) MAPTKMT2A
SCHEMBL4781742 0.62 MMP2 (0.45) MAPTKMT2A
SCHEMBL4778494 0.62 MMP2 (0.45) MAPTKMT2A
SCHEMBL14302669 0.62 BRAF (0.47) F10
SCHEMBL11400562 0.60 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL28185336 0.58 LMNA (0.59)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed