SCHEMBL6181673

SCHEMBL6181673

O=C(Nc1ccc(Oc2ccc3c(c2)CCC3)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
KCNE1 P15382 1/20 0.55
KCNQ1 P51787 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 6/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 4/20 0.52
HRH3 Q9Y5N1 5/20 0.52
SCN9A Q15858 1/20 0.49
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL6181683 0.88 KCNQ3 (0.50) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL6179011 0.86 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL6176384 0.85 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL6180231 0.82 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL3146685 0.82 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL4717167 0.82 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL7235460 0.82 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
Hydrochloric Acid SCHEMBL3140081 0.81 KCNQ3 (0.59) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
Hydrochloric Acid SCHEMBL3131661 0.81 BCAT2 (0.63) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
Hydrochloric Acid SCHEMBL3131676 0.81 KCNQ3 (0.59) 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 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