SCHEMBL6178259

SCHEMBL6178259

O=C(Nc1ccc(Oc2cccc3c2CCCC3=O)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
KCNE1 P15382 2/20 0.50
KCNQ1 P51787 2/20 0.50
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL6177903 0.94 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
SCHEMBL6178924 0.94 RAB9A (0.46) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
Hydrochloric Acid SCHEMBL6179651 0.94 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
SCHEMBL6181815 0.89 CDK8 (0.46) HTR2CHTR2BMEN1KMT2AMAPT
SCHEMBL6176251 0.88 NPC1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
SCHEMBL6180231 0.88 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
SCHEMBL6180247 0.86 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
SCHEMBL6178164 0.84 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
SCHEMBL6178168 0.84 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
SCHEMBL6179288 0.84 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1HTR2C

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