SCHEMBL5808474

SCHEMBL5808474

Cc1csc(Sc2ccc(S(=O)(=O)NC(=O)C(c3cc(C)nn3-c3ccccc3)C(C(=O)NS(=O)(=O)c3cc(Cl)c(Sc4ccccc4)s3)c3cc(C)nn3-c3ccccc3)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
MAPK1 P28482 1/20 0.34
GUSB P08236 2/20 0.34
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NTRK1 P04629 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PTGER3 P43115 1/20 0.31
ALDH1A1 P00352 2/20 0.30
PKM P14618 1/20 0.30
THRB P10828 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5808471 0.87 LMNA (0.37) LMNAMAPK1GUSBGAAMAPT
SCHEMBL5806865 0.81 MAPT (0.40) LMNAMAPK1GAAMAPTSMN1; SMN2
SCHEMBL5808980 0.76 LMNA (0.43) LMNAMAPK1GAAMAPTSMN1; SMN2
SCHEMBL5806294 0.74 PTGER3 (0.40) LMNAGUSBMAPTSMN1; SMN2NTRK1
SCHEMBL5804771 0.70 LMNA (0.37) LMNAMAPK1GAAMAPTSMN1; SMN2
SCHEMBL5809123 0.69 NTRK1 (0.38) LMNAGAASMN1; SMN2NTRK1ALDH1A1
SCHEMBL5820745 0.69 ALDH1A1 (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL5821042 0.68 MAPK13 (0.43) LMNAMAPK1GAAMAPTSMN1; SMN2
SCHEMBL5806862 0.68 MAPT (0.39) LMNAMAPK1GAAMAPTSMN1; SMN2
SCHEMBL5804805 0.67 MAPT (0.40) LMNAMAPK1GAAMAPTSMN1; SMN2

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
WO-2006075955-A1 PYRAZOLYL ACYLSULFONAMIDE DERIVATIVES AS ENDOTHELIN CONVERTING ENZYME INHIBITORS AND USEFUL IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2006-07-20 WO claimed