SCHEMBL4078804

SCHEMBL4078804

CCOC(=O)Oc1[nH]c2ncc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
THRB P10828 1/20 0.47
FABP1 P07148 1/20 0.43
SERPINE1 P05121 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACR P10323 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4392130 0.92 SERPINE1 (0.47) MAPTTP53SMN1; SMN2THRBSERPINE1
SCHEMBL4397313 0.92 HIF1A (0.47) MAPTTP53SMN1; SMN2THRBSERPINE1
SCHEMBL4080084 0.90 SERPINE1 (0.49) MAPTTP53SMN1; SMN2THRBSERPINE1
SCHEMBL4070333 0.88 FABP1 (0.45) FABP1SERPINE1PIK3CAPIK3CGALDH1A1
SCHEMBL4404817 0.86 FABP1 (0.44) MAPTFABP1SERPINE1PIK3CAPIK3CG
SCHEMBL3961023 0.85 MAPT (0.52) MAPTTP53SMN1; SMN2THRBFABP1
SCHEMBL4067709 0.81 SERPINE1 (0.49) MAPTSMN1; SMN2SERPINE1PIK3CAALDH1A1
SCHEMBL3940645 0.80 BRD4 (0.53) MAPTTP53SMN1; SMN2THRBSERPINE1
SCHEMBL4387391 0.80 MAP2 (0.42) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL4073082 0.79 SERPINE1 (0.48) MAPTSMN1; SMN2SERPINE1PIK3CAALDH1A1

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
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed