SCHEMBL13425344

SCHEMBL13425344

O=C1NC2=C(C(=O)CCC2)C(c2cccc(O)c2)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
MAPT P10636 2/20 0.57
GPR174 Q9BXC1 1/20 0.57
KDM4E B2RXH2 6/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 8/20 0.53
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 2/20 0.46
KIF11 P52732 1/20 0.46
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
(S)-Enastron SCHEMBL5177968 0.87 ALDH1A1 (0.72) GAAKMT2AMEN1MAPTGPR174
SCHEMBL15976552 0.83 ALDH1A1 (0.74) GAAKMT2AMEN1MAPTGPR174
SCHEMBL7820460 0.82 GPR174 (0.74) GAAKMT2AMEN1MAPTGPR174
SCHEMBL5177780 0.81 KIF11 (0.48) GAAKMT2AMEN1MAPTGPR174
SCHEMBL13425486 0.81 KMT2A (0.59) GAAKMT2AMEN1MAPTGPR174
SCHEMBL13426046 0.81 KIF11 (0.46) GAAKMT2AMEN1MAPTGPR174
SCHEMBL13425478 0.77 MEN1 (0.55) GAAKMT2AMEN1MAPTGPR174
SCHEMBL8076297 0.75 KIF11 (0.56) GAAMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL22388510 0.72 GPR174 (1.00) GAAKMT2AMEN1MAPTGPR174
SCHEMBL18724770 0.72 KMT2A (0.60) GAAKMT2AMEN1KDM4EALDH1A1

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed