SCHEMBL8636232

SCHEMBL8636232

Cc1cc(Nc2ccccc2Cl)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR2 P34972 1/20 0.40
USP2 O75604 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL8631388 0.86 GAA (0.40) MAPTKCNJ6KCNJ5KCNJ3ALDH1A1
SCHEMBL8634536 0.85 CXCL8 (0.43) PTGS2MEN1LMNAMAPTKMT2A
SCHEMBL8635463 0.84 AKR1C3 (0.45) MEN1MAPTKMT2AAKR1C3ALDH1A1
SCHEMBL8635174 0.84 AKR1C3 (0.49) MEN1MAPTKMT2AAKR1C3PTGS1
SCHEMBL7768680 0.83 SLC9A1 (0.60)
SCHEMBL8630813 0.83 AKR1C3 (0.50) MEN1KMT2ACNR2PLA2G1BCYP1A2
SCHEMBL8633215 0.83 L3MBTL1 (0.42) MEN1LMNAMAPTKMT2AHPGD
SCHEMBL8631102 0.81 AKR1C3 (0.47) MEN1LMNAMAPTKMT2ACNR2
SCHEMBL8635252 0.80 AKR1C3 (0.50) PTGS2MEN1LMNAMAPTKMT2A
SCHEMBL8634805 0.79 TYK2 (0.48) MEN1LMNAMAPTKMT2AHPGD

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