SCHEMBL6967941

SCHEMBL6967941

Cc1c(COC(=O)C(C)C)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.34
TRPC6 Q9Y210 2/20 0.34
KCNH3 Q9ULD8 4/20 0.34
THRB P10828 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MARK3 P27448 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CHRM3 P20309 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM7 Q14831 1/20 0.31

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
SCHEMBL6954489 0.92 PIK3CD (0.33) TRPC3TRPC6KCNH3THRBTRPM8
SCHEMBL6954486 0.92 PIK3CD (0.33) TRPC3TRPC6KCNH3THRBTRPM8
SCHEMBL6967711 0.92 TRPC3 (0.37) TRPC3TRPC6KCNH3THRBTRPM8
Hydrochloric Acid SCHEMBL6961955 0.92 KCNH3 (0.34) TRPC3TRPC6KCNH3THRBTRPM8
Hydrochloric Acid SCHEMBL6961952 0.92 KCNH3 (0.34) TRPC3TRPC6KCNH3THRBTRPM8
SCHEMBL6967410 0.90 KCNH3 (0.34) TRPC3TRPC6KCNH3THRBTRPM8
SCHEMBL6963603 0.90 KCNH3 (0.36) KCNH3THRBSMN1; SMN2KMT2AMEN1
SCHEMBL6963630 0.90 GAA (0.36) TRPC3TRPC6KCNH3THRBTRPM8
SCHEMBL6954449 0.89 NOTUM (0.36) TRPC3TRPC6KCNH3THRBSMN1; SMN2
SCHEMBL6963858 0.89 PIK3CD (0.36) KCNH3THRBMARK3JAK2JAK1

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-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