SCHEMBL44302

SCHEMBL44302

Cc1cn2cc(-c3cccc(CNS(=O)(=O)c4cccc(F)c4)c3)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.48
POLB P06746 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
USP2 O75604 2/20 0.42
CYP19A1 P11511 3/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
TP53 P04637 3/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGDS O60760 1/20 0.40
PI4KB Q9UBF8 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL39342 0.91 CYP19A1 (0.53) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL44780 0.89 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTKMT2ALMNA
SCHEMBL44918 0.86 CYP19A1 (0.44) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL45229 0.85 TP53 (0.41) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL39660 0.84 CYP19A1 (0.56) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL44636 0.83 TP53 (0.43) SMN1; SMN2ALDH1A1MAPTKMT2ALMNA
SCHEMBL44557 0.83 KMT2A (0.40) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL44139 0.81 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAUSP2
SCHEMBL44054 0.78 MAPT (0.53) SMN1; SMN2MAPTKMT2ALMNATP53
SCHEMBL44862 0.77 GAA (0.47) SMN1; SMN2ALDH1A1POLBMAPTLMNA

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