SCHEMBL6972795

SCHEMBL6972795

Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1NC(=O)c1cccc(OCCN2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.61
HSF1 Q00613 2/20 0.61
PIR O00625 2/20 0.61
GSK3B P49841 1/20 0.61
CSF1R P07333 1/20 0.58
KDR P35968 3/20 0.52
MAPK14 Q16539 4/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
SMO Q99835 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL6974172 0.99 BRAF (0.60) BRAFHSF1PIRGSK3BCSF1R
SCHEMBL6969300 0.93 HSF1 (0.60) BRAFHSF1PIRGSK3BCSF1R
SCHEMBL6971304 0.82 BRAF (0.65) BRAFHSF1CSF1RMAPK14NPC1
SCHEMBL6979731 0.82 MAPK14 (0.69) BRAFHSF1CSF1RMAPK14NPC1
SCHEMBL6487036 0.80 MAPK14 (0.66) BRAFHSF1PIRGSK3BKDR
SCHEMBL6979265 0.80 BRAF (0.77) BRAFHSF1CSF1RMAPK14NPC1
SCHEMBL5897251 0.80 BRAF (0.76) BRAFHSF1CSF1RMAPK14NPC1
SCHEMBL5897487 0.77 CSF1R (0.81) BRAFHSF1CSF1RMAPK14NPC1
SCHEMBL5005096 0.77 BRAF (0.52) BRAFHSF1PIRGSK3BCSF1R
SCHEMBL6975716 0.77 BRAF (0.72) BRAFHSF1PIRCSF1RMAPK14

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