SCHEMBL6182050

SCHEMBL6182050

CC(C)(C)C(=O)OC1=CCc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.45
KCNQ2 O43526 3/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 3/20 0.40
MAPK1 P28482 2/20 0.40
GALR3 O60755 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL6177999 0.91 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6195642 0.89 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6177148 0.88 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6180220 0.88 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6179531 0.83 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6176705 0.80 CDK8 (0.45) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6177903 0.78 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6178759 0.78 RAB9A (0.52) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6178164 0.78 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6178168 0.78 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1MAPT

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