SCHEMBL6853972

SCHEMBL6853972

CS(=O)(=O)N(c1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(N3CCCC3)n21)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
PLK1 P53350 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRK1 P41145 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL6854099 0.89 PLK1 (0.48) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6850305 0.84 MAPT (0.55) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6850072 0.84 L3MBTL1 (0.43) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6853813 0.83 L3MBTL1 (0.46) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6855314 0.83 MAPT (0.54) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6854118 0.83 L3MBTL1 (0.56) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6850068 0.82 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6853858 0.82 L3MBTL1 (0.55) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6854997 0.82 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6855333 0.82 L3MBTL1 (0.55) L3MBTL1MAPTALDH1A1KDM4EHTT

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
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