SCHEMBL8635140

SCHEMBL8635140

CCc1cc(Nc2ccccc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
MAPT P10636 6/20 0.38
ALOX15 P16050 1/20 0.38
GFER P55789 1/20 0.38
NGLY1 Q96IV0 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 2/20 0.36

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
SCHEMBL8633969 0.89 CNR2 (0.43) MAPTAKR1C3AKR1C2POLBCYP1A2
SCHEMBL8633209 0.88 MEN1 (0.43) MAPTGFERAKR1C3AKR1C2ALDH1A1
SCHEMBL8635300 0.88 HTT (0.38) MAPTALDH1A1
SCHEMBL8634502 0.88 PTGS1 (0.38) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL8632359 0.87 MEN1 (0.44) MAPTGAAMEN1KMT2A
SCHEMBL8635462 0.86 PDE4B (0.41) ALDH1A1POLB
SCHEMBL8634230 0.85 AKR1C3 (0.45) MAPTAKR1C3AKR1C2ALDH1A1POLB
SCHEMBL8634536 0.85 CXCL8 (0.43) MAPTAKR1C3ALDH1A1GAAKDM4E
SCHEMBL8635178 0.85 AKR1C3 (0.48) MAPTGFERAKR1C3AKR1C2GAA
SCHEMBL7764117 0.84 AKR1C3 (0.42) AKR1C3AKR1C2L3MBTL1CYP3A4CYP2D6

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