SCHEMBL7827201

SCHEMBL7827201

Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.65
SMO Q99835 12/20 0.65
BRAF P15056 1/20 0.56
HSF1 Q00613 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CSF1R P07333 1/20 0.53
POLB P06746 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
SCHEMBL6979946 0.94 MAPK14 (0.74) MAPK14SMOBRAFHSF1CSF1R
SCHEMBL6979731 0.89 MAPK14 (0.69) MAPK14SMOBRAFHSF1NPC1
SCHEMBL6977566 0.84 BRAF (0.62) MAPK14SMOBRAFHSF1NPC1
SCHEMBL5897251 0.79 BRAF (0.76) MAPK14SMOBRAFHSF1NPC1
SCHEMBL6971304 0.79 BRAF (0.65) MAPK14SMOBRAFHSF1NPC1
SCHEMBL6975716 0.78 BRAF (0.72) MAPK14SMOBRAFHSF1NPC1
SCHEMBL6979265 0.77 BRAF (0.77) MAPK14SMOBRAFHSF1NPC1
SCHEMBL1680510 0.77 RAB9A (0.64) NPC1RAB9APOLB
SCHEMBL18109843 0.77 MAPK14 (0.69) MAPK14SMOHSF1
SCHEMBL1680760 0.77 CYSLTR1 (0.52) MAPK14POLB

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-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