SCHEMBL7737475

SCHEMBL7737475

COc1cc(COC(N)=O)c([N+](=O)[O-])c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36

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
SCHEMBL1357965 0.79 ALDH1A1 (0.46) KDM4EPOLBALDH1A1LMNAMEN1
SCHEMBL113462 0.76 NPC1 (0.53) L3MBTL1KDM4ETDP1ALDH1A1SMN1; SMN2
SCHEMBL6826066 0.75 PKM (0.46) L3MBTL1KDM4EPOLBCTDSP1TDP1
SCHEMBL5891799 0.75 CYP3A4 (0.50) L3MBTL1KDM4EPOLBCTDSP1TDP1
SCHEMBL19860802 0.74 APLNR (0.51) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL2846073 0.71 HTT (0.50) L3MBTL1KDM4EPOLBCTDSP1TDP1
SCHEMBL8475972 0.71 PKM (0.63) L3MBTL1KDM4EPOLBCTDSP1TDP1
SCHEMBL11163786 0.70 PKM (0.47) L3MBTL1KDM4EPOLBCTDSP1TDP1
SCHEMBL30926055 0.70 PKM (0.47) L3MBTL1KDM4EPOLBCTDSP1TDP1
SCHEMBL28842339 0.70 NQO2 (0.42) L3MBTL1KDM4EPOLBCTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423465-B1 CLEAVING LABILE GROUPS WITH ACID, BASE, OR RADIATION; PHOTOLITHOGRAPHY; STABILITY, RESOLUTION INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-07-23 US disclosed