SCHEMBL6978838

SCHEMBL6978838

CCN(CC)Cc1ccc(C(=O)Nc2cc(NC(=O)c3cc(Cl)ncn3)ccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
ABL1 P00519 2/20 0.46
BCR P11274 1/20 0.46
NPC1 O15118 1/20 0.46
MAPK14 Q16539 6/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
BCHE P06276 2/20 0.42
MAPT P10636 2/20 0.42
BRAF P15056 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAF1 P04049 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL6970346 0.89 MAPK14 (0.51) F10ABL1BCRNPC1MAPK14
SCHEMBL7675287 0.86 F10 (0.52) F10ABL1BCRNPC1MAPK14
SCHEMBL7673456 0.86 ABL1 (0.51) F10ABL1BCRNPC1MAPK14
SCHEMBL7673242 0.85 ABL1 (0.48) F10ABL1BCRNPC1MAPK14
SCHEMBL6477653 0.80 BCHE (0.53) ABL1BCRNPC1MAPK14HDAC6
SCHEMBL6484244 0.79 NPC1 (0.50) ABL1BCRNPC1MAPK14HDAC6
SCHEMBL6978843 0.79 LMNA (0.46) NPC1MAPK14MAPTALDH1A1TP53
SCHEMBL6968275 0.77 MAPK14 (0.56) MAPK14RAF1
SCHEMBL6975736 0.77 MAPK14 (0.56) MAPK14RAF1
SCHEMBL6476046 0.76 BCHE (0.49) NPC1BCHEBRAF

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