SCHEMBL6958401

SCHEMBL6958401

Cc1c(COC(=O)c2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2B P63146 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 5/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 1/20 0.36
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
CASP3 P42574 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 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 0.91 MAPT (0.36) L3MBTL1RAB9AMAPTNPC1KDM4E
SCHEMBL6963603 0.91 KCNH3 (0.36) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL6958530 0.88 TNF (0.38) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL6955503 0.87 MAPT (0.35) RAB9AMAPTNPC1KDM4EKMT2A
SCHEMBL6967711 0.86 TRPC3 (0.37) KDM4EMAPK1MEN1KMT2ANPSR1
SCHEMBL6957788 0.85 TRPM8 (0.37) KDRMEN1KMT2ANPSR1
SCHEMBL6967941 0.84 TRPC3 (0.34) KDM4EMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL6967410 0.84 KCNH3 (0.34) MAPTKDM4EMAPK1GAAMEN1
SCHEMBL6958921 0.84 DRD1 (0.36) MAPTKDM4EKMT2ANPSR1TP53
SCHEMBL6968472 0.84 NPSR1 (0.34) GAAMEN1KMT2AALDH1A1SMN1; SMN2

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