SCHEMBL6176802

SCHEMBL6176802

CC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(F)c(F)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.59
KCNQ2 O43526 13/20 0.59
KCNE1 P15382 3/20 0.56
KCNQ1 P51787 3/20 0.56
KCNQ5 Q9NR82 1/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
RAB9A P51151 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
SCHEMBL6178002 0.85 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL6179704 0.80 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL5687094 0.76 CXCR1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL6178319 0.75 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL5213301 0.75 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL14339872 0.74 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL4061450 0.74 P4HTM (0.56) RAB9A
SCHEMBL31305934 0.74 MCHR1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL1290685 0.74 MCHR1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL6179011 0.74 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US disclosed