SCHEMBL6677246

SCHEMBL6677246

O=C(CCC1CCCCC1)Nc1ccc(F)c(NC(=O)c2ccc(O)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDLR P01130 11/20 0.77
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL6677594 0.87 LDLR (0.77) LDLRALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL6677728 0.87 LDLR (0.77) LDLRALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL6780802 0.87 LDLR (1.00) LDLRALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL6777396 0.86 LDLR (0.98) LDLRALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL6781245 0.81 LDLR (1.00) LDLRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6778261 0.81 LDLR (0.94) LDLRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6781226 0.79 LDLR (0.84) LDLRALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL6783138 0.79 LDLR (0.86) LDLRALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL9845442 0.79 LDLR (0.69) LDLRALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL6787743 0.78 LDLR (1.00) LDLRALDH1A1KMT2AMAPK1SMN1; SMN2

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 9 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
CN-1188389-C Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRA ZENECA LTD (SE) 2005-02-09 CN disclosed
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