SCHEMBL9734455

SCHEMBL9734455

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(OC2=CC(=O)CC2)=C1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPRC P08575 3/20 0.32
S100A4 P26447 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9737094 0.83 MALT1 (0.35) MALT1ALDH1A1CYP3A4TDP1PTPRC
SCHEMBL9736807 0.78 MALT1 (0.36) MALT1ALDH1A1CYP3A4TDP1PTPRC
SCHEMBL9732391 0.77 CCNE1 (0.36) MALT1ALDH1A1CYP3A4TDP1PTPRC
SCHEMBL9732771 0.76 MEN1 (0.34) ALDH1A1CYP3A4TDP1MEN1KMT2A
SCHEMBL9737016 0.73 MALT1 (0.35) MALT1ALDH1A1CYP3A4TDP1PTPRC
SCHEMBL9733223 0.70 MEN1 (0.38) MALT1ALDH1A1CYP3A4TDP1ACHE
SCHEMBL27602674 0.69 ALDH1A1 (0.42) MALT1ALDH1A1CYP3A4TDP1PTPRC
SCHEMBL9734444 0.69 ALDH1A1 (0.36) MALT1ALDH1A1CYP3A4TDP1PTPRC
SCHEMBL31217559 0.64 ALDH1A1 (0.51) MALT1ALDH1A1CYP3A4TDP1PTPRC
SCHEMBL727919 0.64 ALDH1A1 (0.51) MALT1ALDH1A1CYP3A4TDP1PTPRC

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-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed