SCHEMBL6178319

SCHEMBL6178319

CC1(c2ccc(Oc3ccc(NC(=O)c4ccc(F)c(F)c4)cn3)cc2)OCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.53
KCNQ2 O43526 9/20 0.53
DGAT1 O75907 1/20 0.52
SOAT1 P35610 1/20 0.52
PRKAA2 P54646 3/20 0.50
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
KCNQ5 Q9NR82 1/20 0.46
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
CASP3 P42574 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6176797 0.87 KCNQ3 (0.51) KCNQ3KCNQ2PRKAA2KCNE1KCNQ1
SCHEMBL6179704 0.79 KCNQ3 (0.58) KCNQ3KCNQ2DGAT1SOAT1PRKAA2
SCHEMBL6179011 0.79 KCNQ3 (0.55) KCNQ3KCNQ2DGAT1SOAT1PRKAA2
SCHEMBL6196220 0.78 RAB9A (0.49) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL6176802 0.75 KCNQ3 (0.59) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3146685 0.70 KCNQ3 (0.60) KCNQ3KCNQ2PRKAA2KCNE1KCNQ1
SCHEMBL1588856 0.70 DGAT1 (0.85) DGAT1SOAT1PRKAA2
SCHEMBL5213301 0.70 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL14339872 0.69 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL6178349 0.69 RAB9A (0.69) KCNQ3KCNQ2KCNE1KCNQ1RAB9A

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