SCHEMBL5804129

SCHEMBL5804129

NC(=O)c1c(NC(=O)C[S])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 4/20 0.71
ALDH1A1 P00352 9/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 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 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
GFER P55789 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
SCHEMBL5804131 0.86 KDM4E (0.75) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL31562921 0.86 KDM4E (0.75) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL8289412 0.86 KDM4E (1.00) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL5805621 0.83 ALDH1A1 (0.72) KDM4EMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1007246 0.83 FLT3 (0.75) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL5453467 0.83 FLT3 (1.00) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL3453042 0.83 FLT3 (0.75) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL4135422 0.83 HPGD (0.83) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL8289831 0.82 ALDH1A1 (0.78) KDM4EMAPK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL8288772 0.82 KDM4E (0.74) KDM4EMAPK1FLT3ALDH1A1SMN1; 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 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