SCHEMBL44399

SCHEMBL44399

CC(=O)OCc1nc(-c2cccc(-c3cn4cc(C)sc4n3)c2)no1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
GSTP1 P09211 2/20 0.38
KMT2A Q03164 3/20 0.38
FFAR1 O14842 3/20 0.38
KIFC1 Q9BW19 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
CYP19A1 P11511 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
SCHEMBL44368 0.88 SMN1; SMN2 (0.43) SMN1; SMN2TP53KMT2AFFAR1MAPT
SCHEMBL44571 0.86 NOTUM (0.47) SMN1; SMN2TP53KMT2AMAPTTHRB
SCHEMBL44333 0.80 L3MBTL1 (0.58) SMN1; SMN2TP53KIFC1MAPTTHRB
SCHEMBL44656 0.79 MAPT (0.41) KMT2AMAPTTHRB
SCHEMBL43903 0.78 KMT2A (0.39) KCNH2SMN1; SMN2TP53GSTP1KMT2A
SCHEMBL44745 0.76 HDAC6 (0.41) CYP19A1
SCHEMBL44391 0.75 THRB (0.44) KMT2AMAPTTHRB
SCHEMBL19012092 0.74 ACLY (0.47) SMN1; SMN2TP53GSTP1KMT2AFFAR1
SCHEMBL24922866 0.68 SIRT2 (0.47) SMN1; SMN2GSTP1FFAR1SIRT2MAPT
SCHEMBL3667489 0.68 F2RL3 (0.54) SMN1; SMN2TP53KMT2AMAPTTHRB

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-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed