SCHEMBL8635192

SCHEMBL8635192

Cc1cc(N(C)c2ccc(F)cc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SLC9A1 P19634 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
LTC4S Q16873 1/20 0.33
LMNA P02545 1/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL8635629 0.89 FLT1 (0.36) RXRARXRBRXRGSLC9A1LTC4S
SCHEMBL8635012 0.87 NSD2 (0.36) RXRARXRBRXRGSLC9A1L3MBTL1
SCHEMBL8634338 0.87 ALDH1A1 (0.38) SLC9A1GPBAR1LMNAKCNJ6KCNJ5
SCHEMBL8635732 0.87 KCNJ6 (0.38) GPBAR1LTC4SKCNJ6KCNJ3
SCHEMBL8634267 0.85 KEAP1 (0.41) RXRARXRBRXRGKMT2ALMNA
SCHEMBL8636231 0.85 MCL1 (0.33) RXRARXRBKMT2AL3MBTL1LMNA
SCHEMBL8635329 0.85 SLC9A1 (0.35) RXRARXRBRXRGSLC9A1L3MBTL1
SCHEMBL8633950 0.84 SIRT2 (0.35) RXRARXRBRXRGSLC9A1
SCHEMBL7764817 0.82 SLC9A1 (0.60) SLC9A1
SCHEMBL8635496 0.81 ALDH1A1 (0.39) SLC9A1KMT2AL3MBTL1LMNAKCNJ6

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