SCHEMBL4021944

SCHEMBL4021944

N#Cc1c(Br)cccc1S(=O)(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
TRPV4 Q9HBA0 2/20 0.39
PLCG1 P19174 1/20 0.37
EPAS1 Q99814 2/20 0.35
VEGFA P15692 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
DYRK1A Q13627 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TLR8 Q9NR97 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
CCR4 P51679 1/20 0.30
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL28283268 0.80 CA1 (0.38) CA1CA2CA4CA6PLCG1
SCHEMBL7761256 0.79 ALDH1A1 (0.44) CA1CA2TRPV4SLC22A12ALDH1A1
SCHEMBL2570257 0.79 SLC22A12 (0.47) TRPV4SLC22A12ALDH1A1CCR4MAPT
SCHEMBL970204 0.78 TRPV4 (0.42) TRPV4EPAS1SLC22A12ALDH1A1HTT
SCHEMBL4972108 0.78 CYP1A2 (0.43) TRPV4EPAS1SLC22A12ALDH1A1HTT
SCHEMBL4021727 0.77 ALDH1A1 (0.56) CA1CA2CA4CA6PLCG1
SCHEMBL1343169 0.75 DYRK1A (0.42) CXCR1CXCR2ALDH1A1DYRK1ATLR8
SCHEMBL841244 0.74 CA2 (0.46) CA1CA2CA4CA6TRPV4
SCHEMBL3247679 0.74 NPC1 (0.49) TRPV4EPAS1SLC22A12ALDH1A1CCR4
SCHEMBL8071 0.73 CA1 (0.62) CA1CA2CA4CA6PLCG1

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
CN-109563057-A Sulfonamide compounds or its salt 大鹏药品工业株式会社 2019-04-02 CN disclosed
WO-2009087085-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed