SCHEMBL9256464

SCHEMBL9256464

COc1ccc(CN2CCN(C(=O)C3COc4ccc(O)cc4O3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
AIMP2 Q13155 2/20 0.56
DNMT1 P26358 1/20 0.52
CASP6 P55212 1/20 0.52
MCL1 Q07820 1/20 0.52
CASP8 Q14790 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL9254933 0.81 KMT2A (0.51) KMT2ATSHRSMN1; SMN2AIMP2TDP1
SCHEMBL21213968 0.76 AIMP2 (0.58) KMT2ATSHRSMN1; SMN2GAAAIMP2
SCHEMBL9259044 0.76 KMT2A (0.61) KMT2ATSHRSMN1; SMN2GAAAIMP2
SCHEMBL18171334 0.75 AIMP2 (0.81) KMT2ATSHRSMN1; SMN2GAAAIMP2
Hydrochloric Acid SCHEMBL18171335 0.74 AIMP2 (0.80) KMT2ATSHRSMN1; SMN2GAAAIMP2
SCHEMBL3355450 0.74 KMT2A (0.73) KMT2ATSHRSMN1; SMN2GAAAIMP2
SCHEMBL3359550 0.73 AIMP2 (0.67) KMT2ATSHRGAAAIMP2POLB
SCHEMBL3384086 0.72 SIRT2 (0.52) KMT2ATSHRSMN1; SMN2GAAAIMP2
SCHEMBL25337487 0.71 AIMP2 (1.00) KMT2ATSHRSMN1; SMN2GAAAIMP2
SCHEMBL3359404 0.71 KMT2A (0.57) KMT2ATSHRSMN1; SMN2GAAAIMP2

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-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed