SCHEMBL28089822

SCHEMBL28089822

CCOC(=O)c1ccc([N+]([O-])=Cc2ccc(C(=O)N(CC)CC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
G6PD P11413 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 4/20 0.41

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
SCHEMBL27951868 0.90 L3MBTL1 (0.56) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL12349132 0.90 L3MBTL1 (0.56) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL506354 0.85 G6PD (0.51) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL14788821 0.85 G6PD (0.52) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL14351336 0.85 G6PD (0.52) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL27951865 0.85 G6PD (0.52) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL27939617 0.81 ESR1 (0.52) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL27958261 0.81 L3MBTL1 (0.48) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL14777355 0.80 TSHR (0.52) L3MBTL1G6PDNPC1RAB9ASMN1; SMN2
SCHEMBL12349203 0.76 G6PD (0.56) L3MBTL1G6PDNPC1RAB9AALDH1A1

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
CN-103430108-B Produce volume holographic pattern, shape or the method for image and the holographic article of generation thereof 沙特基础全球技术有限公司 2016-08-10 CN disclosed