SCHEMBL4072264

SCHEMBL4072264

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.46
EDNRA P25101 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
ACLY P53396 1/20 0.44
KIT P10721 1/20 0.44
AR P10275 1/20 0.42
BRAF P15056 1/20 0.41
USP2 O75604 3/20 0.41
USP8 P40818 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4067709 0.91 SERPINE1 (0.49) PTPN5MAPTMEN1LMNAHTT
SCHEMBL4070333 0.90 FABP1 (0.45) ACLYSERPINE1
SCHEMBL4069651 0.89 SERPINE1 (0.52) KITMAPTSERPINE1
SCHEMBL4397313 0.89 HIF1A (0.47) EDNRBEDNRAPTPN2PTPN1PTPN5
SCHEMBL4072263 0.86 ACLY (0.48) EDNRBEDNRAPTPN2PTPN1PTPN5
SCHEMBL4073082 0.84 SERPINE1 (0.48) EDNRAPTPN5MAPTMEN1LMNA
SCHEMBL4404817 0.83 FABP1 (0.44) KITBRAFMAPTMEN1KMT2A
SCHEMBL4133133 0.81 HIF1A (0.53) EDNRBEDNRAPTPN2PTPN1PTPN5
SCHEMBL4067259 0.81 SERPINE1 (0.46) EDNRBEDNRAPTPN5USP2MEN1
SCHEMBL4392130 0.81 SERPINE1 (0.47) EDNRAPTPN5MAPTMEN1LMNA

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