SCHEMBL6858348

SCHEMBL6858348

Cc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(N3CCOCS3)n21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.42
PLK1 P53350 3/20 0.41
DPP4 P27487 1/20 0.41
KMT2A Q03164 1/20 0.39
MIF P14174 1/20 0.39

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
SCHEMBL6850305 0.83 MAPT (0.55) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6850006 0.82 MAPT (0.53) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6855314 0.82 MAPT (0.54) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL7532984 0.78 MAPT (0.49) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6856080 0.77 DPP4 (0.46) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6853754 0.74 MAPT (0.54) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6856039 0.74 MAPT (0.55) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6854190 0.73 MAPT (0.48) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6855386 0.73 MAPT (0.44) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6849975 0.73 MAPT (0.46) MAPTL3MBTL1ALDH1A1KDM4EHTT

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 1 patent. 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