SCHEMBL6978611

SCHEMBL6978611

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(N2CCN(C)CC2)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.59
RAF1 P04049 3/20 0.51
BRAF P15056 3/20 0.51

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
SCHEMBL6979224 0.88 MAPK14 (0.62) MAPK14RAF1BRAF
SCHEMBL4827471 0.88 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL5897136 0.86 MAPK14 (0.75) MAPK14RAF1BRAF
SCHEMBL4827771 0.85 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL4831687 0.84 HPGDS (0.54) MAPK14RAF1BRAF
SCHEMBL27471481 0.83 SLC6A3 (0.45) MAPK14
SCHEMBL4833606 0.82 MAPK14 (0.58) MAPK14RAF1BRAF
SCHEMBL6974566 0.81 MAPK14 (0.58) MAPK14RAF1BRAF
SCHEMBL4831590 0.81 MAPK14 (0.63) MAPK14RAF1BRAF
SCHEMBL4824342 0.81 MAPK14 (0.52) MAPK14RAF1BRAF

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 disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed