SCHEMBL8084166

SCHEMBL8084166

Nc1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=S)NC3CC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
PTPN7 P35236 3/20 0.45
DUSP3 P51452 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8099045 0.88 MAPT (0.39) ALDH1A1PTPN7KDM4EHPGDKMT2A
SCHEMBL8084155 0.87 MAPT (0.39) ALDH1A1PTPN7KDM4EHPGDKMT2A
SCHEMBL8084833 0.86 CA12 (0.43) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL8084016 0.86 CA12 (0.41) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL8090948 0.86 CA12 (0.41) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL8092498 0.85 PIK3CD (0.49) ALDH1A1DUSP3KDM4EHPGDKMT2A
SCHEMBL8091191 0.84 PIK3CA (0.40) PIK3CDPIK3CAMTORPIK3CGCA1
SCHEMBL8091293 0.84 MAPT (0.42) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL8092502 0.83 PIK3CD (0.45) ALDH1A1DUSP3KDM4EHPGDKMT2A
SCHEMBL8092307 0.83 PIK3CA (0.39) ALDH1A1PTPN7DUSP3KDM4EHPGD

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed