SCHEMBL9660935

SCHEMBL9660935

CCc1cc(Cl)cc(S(=O)(=O)O)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GNG2 P59768 3/20 0.35
GNB1 P62873 3/20 0.35
CASR P41180 5/20 0.35
DDR1 Q08345 1/20 0.35
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
NSD2 O96028 1/20 0.34
MMP14 P50281 1/20 0.34
CASP6 P55212 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33

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
SCHEMBL2919577 0.84 CA2 (0.48) POLBHTTCA1CA2LMNA
SCHEMBL10133622 0.82 CA1 (0.45) POLBCA1CA2GNG2GNB1
SCHEMBL1957301 0.79 CA1 (0.52) POLBCA1CA2NSD2MMP14
SCHEMBL669840 0.78 HTT (0.50) POLBHTTLMNAHPGDHSD17B10
SCHEMBL8990126 0.78 CA1 (0.39) POLBCA1CA2GNG2GNB1
SCHEMBL7549791 0.74 DDR1 (0.46) HTTDDR1FLT1FLT4KDR
SCHEMBL9976443 0.73 ALDH1A1 (0.38) POLBHTTLMNAHPGDHIF1A
SCHEMBL205507 0.72 HTT (0.41) POLBHTTCA1CA2HPGD
SCHEMBL19743826 0.72 HTT (0.41) POLBHTTHPGDHSD17B10
SCHEMBL14991000 0.72 HPGD (0.39) HTTCA1CA2CASRDDR1

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-0485474-A1 A METHOD AND A SYSTEM FOR QUANTITATIVELY MONITORING A CHEMICAL COMPONENT DISSOLVED IN A LIQUID MEDIUM. KOEGE KEMISK VAERK (DK) 1992-05-20 EP claimed
WO-1991002254-A1 A METHOD AND A SYSTEM FOR QUANTITATIVELY MONITORING A CHEMICAL COMPONENT DISSOLVED IN A LIQUID MEDIUM KEMISK VÆRK KØGE A/S (DK) 1991-02-21 WO claimed