SCHEMBL44557

SCHEMBL44557

Cc1cn2cc(-c3cccc(CNS(=O)(=O)c4ccccc4C)c3)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 1/20 0.39
POLB P06746 2/20 0.38
NR3C2 P08235 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
WDR5 P61964 1/20 0.38
CYP19A1 P11511 2/20 0.37

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
SCHEMBL45229 0.90 TP53 (0.41) KMT2AMAPTMEN1TP53SMN1; SMN2
SCHEMBL44139 0.90 ALDH1A1 (0.43) MAPTTP53SMN1; SMN2THRBNR3C2
SCHEMBL44636 0.85 TP53 (0.43) KMT2AMAPTMEN1TP53SMN1; SMN2
SCHEMBL39342 0.83 CYP19A1 (0.53) KMT2AMAPTMEN1TP53SMN1; SMN2
SCHEMBL44780 0.83 ALDH1A1 (0.44) KMT2AMAPTMEN1TP53SMN1; SMN2
SCHEMBL44302 0.83 SMN1; SMN2 (0.50) KMT2AMAPTMEN1TP53SMN1; SMN2
SCHEMBL39660 0.82 CYP19A1 (0.56) KMT2AMAPTMEN1TP53THRB
SCHEMBL44918 0.81 CYP19A1 (0.44) MAPTTP53SMN1; SMN2POLBNR3C2
SCHEMBL44862 0.79 GAA (0.47) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL44612 0.77 TSHR (0.42) KMT2AMAPTMEN1SMN1; SMN2POLB

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 3 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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed