SCHEMBL3395980

SCHEMBL3395980

CCCCCCCCOC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.78
HSD17B10 Q99714 2/20 0.77
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
ADORA2B P29275 2/20 0.54

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
SCHEMBL5341216 0.88 KIF11 (1.00) KIF11HSD17B10SMN1; SMN2NPSR1ALDH1A1
SCHEMBL10113145 0.88 HSD17B10 (0.67) KIF11HSD17B10MEN1KMT2ALMNA
SCHEMBL3397866 0.82 PKM (0.80) KIF11SMN1; SMN2ALDH1A1PKMADORA2B
SCHEMBL3399033 0.82 KIF11 (0.79) KIF11HSD17B10SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3397010 0.80 KIF11 (0.76) KIF11HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL5339172 0.80 KIF11 (0.65) KIF11HSD17B10MAPK1POLBPKM
SCHEMBL5352815 0.80 KIF11 (0.65) KIF11HSD17B10MEN1KMT2AALDH1A1
SCHEMBL10113180 0.79 HSD17B10 (0.77) HSD17B10MEN1KMT2APOLBADORA2B
SCHEMBL13425501 0.78 KIF11 (0.73) KIF11HSD17B10SMN1; SMN2NPSR1ALDH1A1
SCHEMBL15196473 0.78 KIF11 (0.73) KIF11HSD17B10MEN1KMT2ASMN1; SMN2

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