SCHEMBL13680446

SCHEMBL13680446

CNC(=O)c1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
HSD17B1 P14061 2/20 0.55
HSD17B2 P37059 2/20 0.55
HDAC2 Q92769 2/20 0.54
PTAFR P25105 1/20 0.49
CRBN Q96SW2 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MMP13 P45452 1/20 0.49
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
PDK2 Q15119 1/20 0.47
LMNA P02545 1/20 0.47
PLK1 P53350 1/20 0.46

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
SCHEMBL9056834 0.86 CRBN (0.61) MAPTPOLBCTDSP1MKNK1MKNK2
SCHEMBL14210412 0.83 CRBN (0.58) MAPTPOLBCTDSP1CRBNMMP13
SCHEMBL18317076 0.83 HPGDS (0.59) MAPTPOLBCTDSP1MKNK1MKNK2
SCHEMBL2026287 0.81 NPC1 (0.67) MAPTPOLBCTDSP1MKNK1MKNK2
SCHEMBL16574182 0.81 MMP13 (0.69) MAPTPOLBMKNK1MKNK2HDAC2
SCHEMBL16198923 0.81 HDAC6 (0.70) CTDSP1MKNK1MKNK2HDAC2CRBN
SCHEMBL14115137 0.81 HDAC6 (0.70) CTDSP1MKNK1MKNK2HDAC2CRBN
SCHEMBL4428711 0.80 MAPT (0.64) MAPTPOLBCTDSP1HSD17B1HSD17B2
SCHEMBL31331712 0.80 RXRA (0.69) MAPTPOLBCTDSP1HSD17B1HSD17B2
SCHEMBL2610268 0.80 RXRA (0.69) MAPTPOLBCTDSP1HSD17B1HSD17B2

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed