SCHEMBL9736241

SCHEMBL9736241

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccc(=O)[nH]n2)=C1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.35
MPI P34949 1/20 0.35
GALK1 P51570 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CAPN9 O14815 1/20 0.33
CASP3 P42574 1/20 0.33
GSK3B P49841 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL9732771 0.83 MEN1 (0.34) ALDH1A1MAPTMEN1KMT2ACCNE1
SCHEMBL9740084 0.82 CNR2 (0.36) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9739750 0.80 BRD4 (0.35) ALDH1A1MAPTPKMMPIGALK1
SCHEMBL9736959 0.79 KDM4E (0.33) ALDH1A1MAPTMEN1KMT2ACCNE2
SCHEMBL9737094 0.77 MALT1 (0.35) ALDH1A1MAPTPKMMPIGALK1
SCHEMBL9735811 0.74 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2ACCNE1
SCHEMBL9732962 0.68 MAPT (0.35) ALDH1A1MAPTPKMMPIGALK1
SCHEMBL9733368 0.67 ALOX5 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL25414615 0.66 HSPB1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9735535 0.66 KMT2A (0.36) ALDH1A1MAPTMEN1KMT2ALMNA

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