SCHEMBL27660573

SCHEMBL27660573

NC(=O)c1ccc(Cn2cnc3ccc(O)cc3c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 9/20 0.64
▸ SCD O00767 3/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GRK2 P25098 1/20 0.47

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
SCHEMBL27660571 0.90 MMP13 (0.56) MMP13SCDHDAC1HDAC3HDAC4
SCHEMBL27660577 0.87 MMP13 (0.63) MMP13SCDHDAC1HDAC3HDAC4
SCHEMBL4969416 0.83 GRK2 (0.65) MMP13SCDGRK2
SCHEMBL27680615 0.80 MMP13 (0.56) MMP13SCDHDAC1HDAC3HDAC4
SCHEMBL5696952 0.79 MMP13 (1.00) MMP13SCDGRK2
SCHEMBL23520500 0.77 MMP13 (0.65) MMP13SCD
SCHEMBL27680630 0.77 MMP13 (0.52) MMP13HDAC1HDAC3HDAC4HDAC7
SCHEMBL6298035 0.76 MMP13 (0.64) MMP13SCD
SCHEMBL5696971 0.76 MMP13 (0.65) MMP13
SCHEMBL2313385 0.75 SCD (0.64) MMP13SCDHDAC1HDAC3HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012376-A Amide derivatives ASTRAZENECA AB 2013-04-03 — — CN disclosed
CN-1898216-A Amide derivatives ASTRAZENECA AB (SE) 2007-01-17 — — CN disclosed
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