SCHEMBL6969088

SCHEMBL6969088

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(OCCC2CCCN2C)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.61
MAPK13 O15264 1/20 0.52
HSPB1 P04792 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
SMO Q99835 1/20 0.52

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
SCHEMBL6978401 0.92 MAPK14 (0.52) MAPK14SMO
SCHEMBL6486377 0.89 MAPK14 (0.63) MAPK14SMO
SCHEMBL7805580 0.85 MAPK14 (0.56) MAPK14SMO
SCHEMBL6978609 0.85 MAPK14 (0.68) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL7679107 0.84 MAPK14 (0.72) MAPK14SMO
SCHEMBL5897227 0.83 MAPK14 (0.58) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6976106 0.82 MAPK14 (0.60) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL7109855 0.82 MAPK14 (0.59) MAPK14SMO
SCHEMBL6969091 0.81 MAPK14 (0.42) MAPK14SMO
SCHEMBL6974083 0.81 MAPK14 (0.59) MAPK14MAPK13HSPB1MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP claimed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US claimed
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed