SCHEMBL4776562

SCHEMBL4776562

N=C(N)NCCC(=O)Nc1cccc(-c2nc(CCCc3ccccc3)cc(OCCc3ccccc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.42
MMP9 P14780 6/20 0.42
MMP8 P22894 6/20 0.42
MMP13 P45452 3/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
MAPT P10636 2/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MAP2K7 O14733 1/20 0.38
BRAF P15056 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4781761 0.92 LTA4H (0.40) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4778494 0.87 MMP2 (0.45) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4781742 0.87 MMP2 (0.45) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4776784 0.79 C5AR1 (0.37) MAPTALDH1A1HPGDKDM4E
SCHEMBL4796563 0.78 MMP2 (0.46) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4776567 0.76 ALOX5 (0.39) MAPT
SCHEMBL4776548 0.76 GPR52 (0.36) HDAC1HDAC6
SCHEMBL14303803 0.75 MAPT (0.46) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4778353 0.73 MMP2 (0.48) MMP2MMP9MMP8MMP13NPC1
SCHEMBL14302669 0.72 BRAF (0.47) MMP2MMP9MMP8MMP13ALDH1A1

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