SCHEMBL13680910

SCHEMBL13680910

Cc1nc(-c2ccc(CCC=O)s2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.38
GFER P55789 1/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3074282 0.76 KDM4E (0.48) KDM4EPKMMAPTALDH1A1HSD17B10
SCHEMBL3823188 0.76 KDM4E (0.48) KDM4EPKMMAPTALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL3821911 0.75 CYP2A6 (0.48) KDM4EPKMMAPTALDH1A1HSD17B10
SCHEMBL15008586 0.73 KDM4E (0.48) KDM4EPKMMAPTALDH1A1HSD17B10
SCHEMBL423483 0.71 MAPT (0.68) KDM4EPKMMAPTALDH1A1HSD17B10
SCHEMBL5494804 0.71 PKM (0.46) PKMMAPTALDH1A1KMT2AMEN1
SCHEMBL4148228 0.70 PRMT6 (0.45) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL13680909 0.70 KDM4E (0.55) KDM4EPKMMAPTALDH1A1NPSR1
SCHEMBL13680908 0.68 CYP2A6 (0.55) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL10211630 0.68 KDM4E (0.46) KDM4EPKMMAPTALDH1A1HSD17B10

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