SCHEMBL6678076

SCHEMBL6678076

CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 3/20 0.51
PKM P14618 2/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 3/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 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
SCHEMBL6682415 0.88 MEN1 (0.60) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL6485956 0.88 LDLR (0.57) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL6677237 0.81 MAPK14 (0.65) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL3781363 0.78 KDM4E (0.75) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL5897778 0.77 TSHR (0.65) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL6476742 0.76 TBXAS1 (0.59) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL7807908 0.76 ESR1 (0.47) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL23657701 0.76 NPC1 (0.60) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL17570205 0.75 KMT2A (0.70) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL5897201 0.74 NPC1 (0.59) KMT2AMEN1NPC1RAB9ALMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077930-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-10 EP claimed
US-6465455-B1 TUMOUR NECROSIS FACTOR AND INTERLEUKIN FAMILY INHIBITORS; INHIBITION OF ENZYME P38 KINASE; INFLAMMATION, IMMUNO-REGULATION, ALLERGIES ASTRAZENECA AB (SE) 2002-10-15 US claimed
EP-1077930-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP claimed
WO-1999059960-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO claimed
EP-1077930-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-10 EP disclosed
US-6465455-B1 TUMOUR NECROSIS FACTOR AND INTERLEUKIN FAMILY INHIBITORS; INHIBITION OF ENZYME P38 KINASE; INFLAMMATION, IMMUNO-REGULATION, ALLERGIES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-1077930-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059960-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed