SCHEMBL6181683

SCHEMBL6181683

O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)CCCC3)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.50
KCNQ2 O43526 3/20 0.50
KCNE1 P15382 3/20 0.50
KCNQ1 P51787 3/20 0.50
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 4/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
MAPK14 Q16539 1/20 0.42
GAA P10253 2/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL6176384 0.94 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL6181673 0.88 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL6178597 0.80 RAB9A (0.60) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL6178259 0.80 KCNQ3 (0.50) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL6181775 0.79 MAPK14 (0.45) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL6177994 0.79 KCNQ3 (0.56) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3137030 0.78 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL6180247 0.78 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3146685 0.78 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL4717167 0.78 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1KDM4E

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 1 patent. 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