SCHEMBL5807701

SCHEMBL5807701

Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Br)s2)n(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NTRK1 P04629 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NLRP3 Q96P20 1/20 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
SCHEMBL5809123 0.84 NTRK1 (0.38) KMT2ASMN1; SMN2TDP1NTRK1ALDH1A1
SCHEMBL5806376 0.84 NTRK1 (0.37) KMT2ASMN1; SMN2TDP1NTRK1ALDH1A1
SCHEMBL5804900 0.83 MAPK13 (0.47) MEN1KMT2ASMN1; SMN2NTRK1TP53
SCHEMBL5806852 0.82 ALDH1A1 (0.50) NTRK1ALDH1A1HTTGAAPOLB
SCHEMBL8262196 0.82 GUSB (0.44) MEN1KMT2ASMN1; SMN2NTRK1TP53
SCHEMBL5805117 0.82 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2TDP1NTRK1
SCHEMBL5809144 0.81 MAPT (0.46) SMN1; SMN2NTRK1TP53ALDH1A1MAPT
SCHEMBL8262663 0.81 NTRK1 (0.35) KMT2ATDP1NTRK1ALDH1A1LMNA
SCHEMBL5821059 0.81 MMP9 (0.47) KMT2AALDH1A1ATML3MBTL1
SCHEMBL5804860 0.81 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2NTRK1ALDH1A1

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
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 disclosed
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 disclosed