SCHEMBL8631388

SCHEMBL8631388

Cc1cc(Nc2ccccc2F)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
IDH1 O75874 1/20 0.39
CXCL8 P10145 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KIT P10721 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL8636232 0.86 PTGS2 (0.40) ALDH1A1KCNJ6KCNJ5KCNJ3IDH1
SCHEMBL8635172 0.85 CXCL8 (0.42) GAAALDH1A1ALOX15PKMCXCL8
SCHEMBL8630813 0.84 AKR1C3 (0.50) ALDH1A1SMN1; SMN2HTT
SCHEMBL8635463 0.83 AKR1C3 (0.45) GAAALDH1A1ALOX15L3MBTL1POLB
SCHEMBL8635174 0.83 AKR1C3 (0.49) GAAALDH1A1IDH1L3MBTL1SMN1; SMN2
SCHEMBL7764107 0.82 SLC9A1 (0.60)
SCHEMBL8633215 0.82 L3MBTL1 (0.42) GAAALDH1A1ALOX15L3MBTL1POLB
SCHEMBL8633408 0.81 ALDH1A1 (0.39) ALDH1A1IDH1SMN1; SMN2
SCHEMBL8632908 0.81 PTGS1 (0.43) GAAKCNJ6KCNJ5KCNJ3IDH1
SCHEMBL8634805 0.78 TYK2 (0.48) GAAALDH1A1JAK2JAK1TYK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1057999-C 4-Aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 2000-11-01 CN disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
CN-1138575-A 4-aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 1996-12-25 CN disclosed