SCHEMBL6970346

SCHEMBL6970346

CCN(CC)Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccnc(Cl)c3)ccc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
ABL1 P00519 3/20 0.49
BCR P11274 1/20 0.49
F10 P00742 1/20 0.48
NPC1 O15118 1/20 0.47
BRAF P15056 2/20 0.46
BCHE P06276 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAF1 P04049 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK11 Q15759 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6978838 0.89 F10 (0.48) MAPK14ABL1BCRF10NPC1
SCHEMBL7673456 0.89 ABL1 (0.51) MAPK14ABL1BCRF10NPC1
SCHEMBL7675287 0.87 F10 (0.52) MAPK14ABL1BCRF10NPC1
SCHEMBL7673242 0.83 ABL1 (0.48) MAPK14ABL1BCRF10NPC1
SCHEMBL6968275 0.83 MAPK14 (0.56) MAPK14RAF1
SCHEMBL6975736 0.83 MAPK14 (0.56) MAPK14RAF1
SCHEMBL6975166 0.81 MAPK14 (0.65) MAPK14BRAFRAF1MAPK11
SCHEMBL6970350 0.81 LMNA (0.50) MAPK14BRAFHDAC6KDM4EALDH1A1
SCHEMBL6477653 0.81 BCHE (0.53) MAPK14ABL1BCRNPC1BRAF
SCHEMBL5897126 0.80 MAPK14 (0.52) MAPK14ABL1BCRNPC1BRAF

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