SCHEMBL5789210

SCHEMBL5789210

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 10/20 0.49
MAPK14 Q16539 10/20 0.49
SIRT6 Q8N6T7 4/20 0.47
POLB P06746 1/20 0.45
FAAH O00519 2/20 0.43
MGLL Q99685 2/20 0.43
ALDH1A1 P00352 2/20 0.42
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
MAPT P10636 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41

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
SCHEMBL3103669 0.90 SIRT6 (0.51) SIRT6POLBFAAHMGLLALDH1A1
SCHEMBL1140179 0.90 POLB (0.57) MAPK11MAPK14SIRT6POLBFAAH
SCHEMBL1140167 0.89 MEN1 (0.52) MAPK11MAPK14SIRT6POLBFAAH
SCHEMBL1140045 0.89 MAPK11 (0.48) MAPK11MAPK14SIRT6POLBFAAH
SCHEMBL5785750 0.88 SIRT6 (0.47) MAPK11MAPK14SIRT6POLBFAAH
SCHEMBL1139935 0.88 MAPT (0.54) MAPK11MAPK14SIRT6POLBALDH1A1
SCHEMBL1139653 0.88 MAPK11 (0.47) MAPK11MAPK14SIRT6POLBFAAH
SCHEMBL5786079 0.88 MAPK14 (0.53) MAPK11MAPK14BMPR1BBMPR1ATGFBR1
SCHEMBL5785922 0.87 MAPT (0.48) MAPK11MAPK14SIRT6POLBFAAH
SCHEMBL5788418 0.87 SIRT6 (0.55) MAPK11MAPK14SIRT6POLBFAAH

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
EP-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 EP disclosed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 WO disclosed