SCHEMBL6854065

SCHEMBL6854065

Cc1ccc2c(c1)c(=O)n(Cc1ccc(CC(=O)O)cc1)c1nnc(N(C)C)n21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TP53 P04637 4/20 0.44
ALDH1A1 P00352 4/20 0.42
APEX1 P27695 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
PLK1 P53350 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6849948 0.89 ALDH1A1 (0.41) MAPTTP53ALDH1A1PTGDR2L3MBTL1
SCHEMBL6856039 0.89 MAPT (0.55) MAPTTP53ALDH1A1L3MBTL1KDM4E
SCHEMBL6854257 0.84 MAPT (0.46) MAPTTP53ALDH1A1PTGDR2L3MBTL1
SCHEMBL6855341 0.82 MAPT (0.51) MAPTTP53ALDH1A1L3MBTL1THRB
SCHEMBL6850178 0.82 MAPT (0.40) MAPTTP53ALDH1A1THRBPLK1
SCHEMBL6854190 0.82 MAPT (0.48) MAPTTP53ALDH1A1APEX1PTGDR2
SCHEMBL6849975 0.79 MAPT (0.46) MAPTTP53ALDH1A1APEX1PTGDR2
SCHEMBL6855790 0.78 MAPT (0.53) MAPTTP53ALDH1A1L3MBTL1KDM4E
SCHEMBL6855953 0.78 MAPT (0.41) MAPTTP53ALDH1A1L3MBTL1KDM4E
SCHEMBL6849994 0.77 PLK1 (0.48) MAPTTP53ALDH1A1L3MBTL1KDM4E

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 5 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 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
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed