SCHEMBL4077970

SCHEMBL4077970

O=C(O)Oc1[nH]c2ncc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c1-c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
FFAR4 Q5NUL3 2/20 0.39
RORC P51449 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NPY5R Q15761 1/20 0.38
MAPT P10636 1/20 0.37
GSK3B P49841 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
SCN3A Q9NY46 1/20 0.37
CCR9 P51686 1/20 0.37

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
SCHEMBL4069651 0.90 SERPINE1 (0.52) SERPINE1HDAC1HDAC8FFAR4RORC
SCHEMBL4077968 0.88 SERPINE1 (0.45) SERPINE1HDAC1HDAC8FFAR4RORC
SCHEMBL4077705 0.86 PTPN5 (0.41) SERPINE1HDAC8MAPTHDAC3HDAC11
SCHEMBL4071556 0.86 SERPINE1 (0.42) SERPINE1HDAC1HDAC8FFAR4RORC
SCHEMBL4080084 0.80 SERPINE1 (0.49) SERPINE1HDAC1HDAC8FFAR4RORC
SCHEMBL4072264 0.79 EDNRB (0.46) SERPINE1MAPT
SCHEMBL4133869 0.79 CNR1 (0.41) SERPINE1FFAR4RORCNPY5RMAPT
SCHEMBL4133870 0.79 CNR1 (0.41) SERPINE1FFAR4RORCNPY5RMAPT
SCHEMBL4070333 0.78 FABP1 (0.45) SERPINE1HDAC1HDAC8HDAC3HDAC4
SCHEMBL4069649 0.77 SERPINE1 (0.56) SERPINE1HDAC1HDAC8FFAR4RORC

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