SCHEMBL6180370

SCHEMBL6180370

CC(O)c1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.56
KCNQ2 O43526 5/20 0.56
KCNE1 P15382 4/20 0.56
KCNQ1 P51787 4/20 0.56
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
MAPK1 P28482 2/20 0.45
GALR3 O60755 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3146685 0.87 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL7237944 0.86 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL4717167 0.85 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL7235460 0.85 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1MEN1
Hydrochloric Acid SCHEMBL3131661 0.84 BCAT2 (0.63) KCNQ3KCNQ2KCNE1KCNQ1MEN1
Hydrochloric Acid SCHEMBL3140081 0.84 KCNQ3 (0.59) KCNQ3KCNQ2KCNE1KCNQ1MEN1
Hydrochloric Acid SCHEMBL3131676 0.84 KCNQ3 (0.59) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL3143179 0.83 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL3137030 0.83 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL6179046 0.83 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1MEN1

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