SCHEMBL6850259

SCHEMBL6850259

COc1cc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK8 P45983 2/20 0.36
PARG Q86W56 1/20 0.36
PLK1 P53350 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DPP4 P27487 1/20 0.35
THRB P10828 1/20 0.34
GPR183 P32249 1/20 0.34

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
SCHEMBL6854048 0.93 PIK3R1 (0.46) MAPTTP53PIK3R1PIK3CAHSP90AA1
SCHEMBL6853783 0.89 ALDH1A1 (0.44) MAPTTP53HSP90AA1NPSR1LMNA
SCHEMBL6854057 0.87 MAPT (0.42) MAPTTP53HSP90AA1NPSR1LMNA
SCHEMBL6854129 0.86 MAPT (0.41) MAPTTP53HSP90AA1NPSR1LMNA
SCHEMBL6855972 0.86 MAPT (0.41) MAPTTP53HSP90AA1NPSR1LMNA
SCHEMBL6854439 0.85 MAPT (0.51) MAPTTP53NPSR1LMNATSHR
SCHEMBL6850125 0.85 L3MBTL1 (0.48) MAPTTP53LMNATSHRPLK1
SCHEMBL6850007 0.84 L3MBTL1 (0.47) MAPTTP53CASP1LMNATSHR
SCHEMBL6854145 0.84 L3MBTL1 (0.47) MAPTTP53CASP1LMNATSHR
SCHEMBL6850222 0.84 MAPT (0.44) MAPTTP53LMNATSHRPLK1

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 3 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
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