SCHEMBL5804131

SCHEMBL5804131

NC(=O)c1c(NC(=O)CS)sc2c1CCC2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
MAPK1 P28482 1/20 0.75
FLT3 P36888 5/20 0.71
ALDH1A1 P00352 8/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPK10 P53779 2/20 0.68
RAB9A P51151 2/20 0.68
TSHR P16473 4/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 2/20 0.67
GFER P55789 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CDK2 P24941 1/20 0.67
HPGD P15428 5/20 0.64
GAA P10253 1/20 0.64
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
HSD17B10 Q99714 4/20 0.62

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
SCHEMBL8289412 0.86 KDM4E (1.00) KDM4EMAPK1FLT3ALDH1A1MEN1
SCHEMBL31562921 0.86 KDM4E (0.75) KDM4EMAPK1FLT3ALDH1A1MEN1
SCHEMBL5804129 0.86 KDM4E (0.75) KDM4EMAPK1FLT3ALDH1A1MEN1
SCHEMBL5805624 0.83 ALDH1A1 (0.72) KDM4EMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4135422 0.83 HPGD (0.83) KDM4EMAPK1FLT3ALDH1A1MEN1
SCHEMBL3453042 0.83 FLT3 (0.75) KDM4EMAPK1FLT3ALDH1A1MEN1
SCHEMBL5453467 0.83 FLT3 (1.00) KDM4EMAPK1FLT3ALDH1A1MEN1
SCHEMBL1007246 0.83 FLT3 (0.75) KDM4EMAPK1FLT3ALDH1A1MEN1
SCHEMBL8289831 0.82 ALDH1A1 (0.78) KDM4EMAPK1FLT3ALDH1A1MEN1
SCHEMBL8288772 0.82 KDM4E (0.74) KDM4EMAPK1FLT3ALDH1A1MEN1

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed