SCHEMBL4080084

SCHEMBL4080084

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.49
MAPT P10636 5/20 0.44
TP53 P04637 5/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KIT P10721 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 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
SCHEMBL4397313 0.90 HIF1A (0.47) SERPINE1MAPTTP53THRBSMN1; SMN2
SCHEMBL4078804 0.90 MAPT (0.47) SERPINE1MAPTTP53THRBSMN1; SMN2
SCHEMBL4069651 0.89 SERPINE1 (0.52) SERPINE1MAPTTP53PTGDR2FFAR4
SCHEMBL3958851 0.88 SERPINE1 (0.51) SERPINE1MAPTTP53THRBSMN1; SMN2
SCHEMBL4392130 0.88 SERPINE1 (0.47) SERPINE1MAPTTP53THRBSMN1; SMN2
SCHEMBL4069649 0.82 SERPINE1 (0.56) SERPINE1MAPTTP53PTGDR2FFAR4
SCHEMBL4077970 0.80 SERPINE1 (0.42) SERPINE1MAPTPTGDR2FFAR4HDAC3
SCHEMBL4072264 0.79 EDNRB (0.46) SERPINE1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL4133133 0.79 HIF1A (0.53) MAPTTP53THRBSMN1; SMN2NPSR1
SCHEMBL4070333 0.78 FABP1 (0.45) SERPINE1ALDH1A1HDAC3HDAC4HDAC1

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