SCHEMBL6967410

SCHEMBL6967410

CCC(=O)OCc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPC3 Q13507 2/20 0.33
TRPC6 Q9Y210 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MARK3 P27448 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6954449 0.94 NOTUM (0.36) KCNH3THRBSMN1; SMN2TRPC3TRPC6
SCHEMBL6962395 0.92 GAA (0.36) KCNH3THRBSMN1; SMN2TRPC3TRPC6
SCHEMBL6967711 0.92 TRPC3 (0.37) KCNH3THRBTRPC3TRPC6NPSR1
SCHEMBL6963630 0.91 GAA (0.36) KCNH3THRBSMN1; SMN2TRPC3TRPC6
SCHEMBL6967941 0.90 TRPC3 (0.34) KCNH3THRBSMN1; SMN2TRPC3TRPC6
SCHEMBL6963603 0.90 KCNH3 (0.36) KCNH3THRBSMN1; SMN2NPSR1KMT2A
SCHEMBL6957770 0.89 THRB (0.35) KCNH3THRBTRPM8JAK2JAK1
Hydrochloric Acid SCHEMBL6961096 0.89 KDM4E (0.34) KCNH3THRBSMN1; SMN2TRPC3TRPC6
SCHEMBL6962206 0.88 MAPT (0.36) THRBSMN1; SMN2NPSR1KMT2AKDM4E
SCHEMBL6970438 0.88 GAA (0.36) KCNH3THRBSMN1; SMN2NPSR1MARK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed