SCHEMBL6639747

SCHEMBL6639747

COC(=O)COc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.54
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.44
PTGS2 P35354 2/20 0.43
MYC P01106 2/20 0.42
MAX P61244 2/20 0.42
TXNRD1 Q16881 3/20 0.42
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSR P00390 2/20 0.39
PKM P14618 1/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13731608 0.87 MERTK (0.49) MERTKMAPTHTTTXNRD1LMNA
SCHEMBL6641789 0.84 TXNRD1 (0.56) MAPTPTGS2TXNRD1GSR
SCHEMBL31248781 0.81 PIN1 (0.55) PTGS2LMNA
SCHEMBL10696793 0.80 MERTK (0.58) MERTKMAPTHTTMYCMAX
SCHEMBL29361819 0.79 MERTK (0.58) MERTKMAPTHTTMYCMAX
SCHEMBL16931267 0.79 MERTK (0.58) MERTKMAPTHTTMYCMAX
SCHEMBL6635724 0.79 LMNA (0.44) MAPTPTGS2LMNAL3MBTL1KDM4E
SCHEMBL3248072 0.78 LMNA (0.56) MAPTHTTPTGS2LMNAL3MBTL1
SCHEMBL908949 0.78 MERTK (0.72) MERTKMAPTHTTTXNRD1L3MBTL1
SCHEMBL29364631 0.78 MERTK (0.72) MERTKMAPTHTTTXNRD1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017038909-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 WO disclosed
WO-2017038909-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 WO disclosed
EP-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP disclosed
WO-1998045266-A1 3-AMINOPYRIDINE DERIVATIVES FOR TREATMENT OF INFLAMMATORY AND MALIGNANT DISEASES FERRING B.V. (NL) 1998-10-15 WO disclosed