SCHEMBL6683013

SCHEMBL6683013

COc1cc(CN2CCc3c(sc(N)c3-c3c(C=O)ccc4ccccc34)C2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CA9 Q16790 4/20 0.39
CA2 P00918 3/20 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
SCHEMBL5676512 0.76 ADORA1 (0.54) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL7770354 0.65 ADORA1 (0.67) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL9829266 0.65 CA9 (0.60) MEN1LMNAMAPTKMT2ACA9
SCHEMBL11626923 0.64 CA9 (0.62) MEN1MAPTKMT2ACA9CA2
SCHEMBL7001600 0.64 ADORA1 (0.67) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL5675281 0.63 ADORA1 (0.70) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL16007300 0.63 ADORA1 (0.80) ADORA1MEN1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL9620531 0.63 GAA (0.64) MEN1LMNAMAPTKMT2A
SCHEMBL28458172 0.63 MAPT (0.63) MEN1MAPTKMT2A
SCHEMBL8801153 0.62 MAPK1 (0.65) MEN1LMNAMAPTKMT2ACA9

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-6727258-B2 E.G., KETONE DERIVATIVES OF THIENOTHIOPYRANS, BENZOTHIOPHENES, THIENOPYRIDINES, CYCLOPENTATHIOPHENES, THIOPHENYLNAPHTHALENES, THIOPHENYLBENZOFURANS, ETC. KING PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. 2004-04-27 US claimed