SCHEMBL6855573

SCHEMBL6855573

COc1cccc(Cn2c(=O)c3cc(Cl)ccc3n3c(N4CCCCCC4)nnc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TP53 P04637 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CCR2 P41597 1/20 0.45
ALDH1A1 P00352 7/20 0.44
CASP1 P29466 5/20 0.44
USP2 O75604 5/20 0.44
CASP7 P55210 4/20 0.44
CYP3A4 P08684 4/20 0.44
DPP4 P27487 1/20 0.43
TSHR P16473 3/20 0.42
CYP1A2 P05177 4/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 2/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6858383 0.91 MAPT (0.45) MAPTTP53L3MBTL1CCR2LMNA
SCHEMBL6856229 0.90 L3MBTL1 (0.53) MAPTTP53L3MBTL1ALDH1A1DPP4
SCHEMBL6856863 0.88 HSP90AA1 (0.51) MAPTTP53L3MBTL1ALDH1A1TSHR
SCHEMBL7465849 0.88 L3MBTL1 (0.52) MAPTTP53L3MBTL1ALDH1A1DPP4
SCHEMBL6855333 0.88 L3MBTL1 (0.55) MAPTTP53L3MBTL1ALDH1A1TSHR
SCHEMBL6853858 0.88 L3MBTL1 (0.55) MAPTTP53L3MBTL1ALDH1A1TSHR
SCHEMBL6850122 0.87 HSP90AA1 (0.52) MAPTTP53L3MBTL1ALDH1A1TSHR
SCHEMBL6854118 0.87 L3MBTL1 (0.56) MAPTTP53L3MBTL1ALDH1A1TSHR
SCHEMBL6850034 0.87 MEN1 (0.42) MAPTTP53L3MBTL1ALDH1A1LMNA
SCHEMBL6853905 0.86 L3MBTL1 (0.47) MAPTTP53L3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed