SCHEMBL2592810

SCHEMBL2592810

COC(=O)c1cc(S(=O)(=O)Nc2ccccc2)cc2[nH]nc(C(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PLAU P00749 1/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
BRD4 O60885 1/20 0.39
MAP2K4 P45985 1/20 0.39
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
PKM P14618 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
SCHEMBL2592029 0.90 MCL1 (0.41) POLBMAPTKMT2AMEN1CA12
SCHEMBL2591509 0.76 ALDH1A1 (0.44) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2593108 0.74 NQO2 (0.40) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2592617 0.74 MAP2K4 (0.41) MAPTMAP2K4SMN1; SMN2KDM4EMAPK1
SCHEMBL25311928 0.69 ALDH1A1 (0.61) POLBMAPTKMT2AMEN1PLAU
SCHEMBL12180880 0.69 LMNA (0.41) MAPTKMT2AMEN1PLAUGAA
Phenyl(Phenylsulfonyl)Amine SCHEMBL4057888 0.65 IL1RN (0.65) MAPTKMT2AMEN1PLAUGAA
SCHEMBL2741010 0.65 NPC1 (0.66) MAPTKMT2AMEN1GAACA9
SCHEMBL5380693 0.64 POLB (0.62) POLBKMT2AMEN1PLAUGAA
SCHEMBL11165878 0.63 POLB (0.58) POLBMAPTKMT2AMEN1CA12

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
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed