SCHEMBL6963603

SCHEMBL6963603

Cc1c(COC(=O)c2ccccc2)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.36
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
THRB P10828 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
GLO1 Q04760 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL6962206 0.95 MAPT (0.36) RAB9AMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL6955503 0.94 MAPT (0.35) RAB9AKMT2ASMN1; SMN2NPC1TP53
SCHEMBL6957788 0.92 TRPM8 (0.37) MEN1KMT2ANPSR1
SCHEMBL6958530 0.92 TNF (0.38) RAB9AMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL6958401 0.91 UBE2B (0.43) RAB9AMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL6967711 0.91 TRPC3 (0.37) KCNH3MEN1KMT2ATHRBNPSR1
SCHEMBL6963071 0.90 GRM5 (0.36) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL6967941 0.90 TRPC3 (0.34) KCNH3MEN1KMT2ATHRBSMN1; SMN2
SCHEMBL6967410 0.90 KCNH3 (0.34) KCNH3MEN1KMT2ATHRBSMN1; SMN2
SCHEMBL6958921 0.89 DRD1 (0.36) KCNH3KMT2ANPSR1TP53KDM4E

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