SCHEMBL8869236

SCHEMBL8869236

COCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 2/20 0.51
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
PGR P06401 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CACNA1B Q00975 2/20 0.48
MCL1 Q07820 1/20 0.48
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 1/20 0.46
F2 P00734 1/20 0.45
BDKRB1 P46663 1/20 0.44

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
SCHEMBL17331347 0.92 POLB (0.58) POLBSMN1; SMN2PKMKDM4EALDH1A1
SCHEMBL8869314 0.91 POLB (0.55) POLBSMN1; SMN2KDM4ELMNAHTT
SCHEMBL19102218 0.85 POLB (0.59) POLBPKMKDM4EALDH1A1F2
SCHEMBL9574871 0.85 CACNA1B (0.48) SMN1; SMN2PKMKDM4ELMNAHTT
SCHEMBL8869534 0.85 PGR (0.53) SMN1; SMN2PKMKDM4ELMNAHTT
SCHEMBL17331332 0.81 POLB (0.60) POLBPKMLMNAALDH1A1F2
SCHEMBL17347485 0.80 ALDH1A1 (0.50) POLBSMN1; SMN2PKMKDM4EALDH1A1
SCHEMBL8868444 0.79 KDR (0.49) POLBSMN1; SMN2LMNAHTTPGR
SCHEMBL17331327 0.79 POLB (0.58) POLBSMN1; SMN2PKMKDM4ELMNA
SCHEMBL8868618 0.77 MCL1 (0.51) MCL1

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed