SCHEMBL8633203

SCHEMBL8633203

Cc1cc(N(C)c2ccccc2Cl)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
SLC9A1 P19634 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL8634234 0.86 MEN1 (0.36) MEN1KMT2AESR1POLBGAA
SCHEMBL8635496 0.86 ALDH1A1 (0.39) KMT2ASLC9A1POLBKCNJ6KCNJ5
SCHEMBL8635012 0.85 NSD2 (0.36) ESR1SLC9A1POLBGAA
SCHEMBL8638262 0.84 HPGD (0.39) MEN1KMT2APOLB
SCHEMBL7765580 0.84 SLC9A1 (0.58) SLC9A1
SCHEMBL8635768 0.83 ALDH1A1 (0.37) SLC9A1POLB
SCHEMBL8632865 0.83 RORC (0.36) KMT2AESR1
SCHEMBL8635629 0.81 FLT1 (0.36) SLC9A1POLBKCNJ6KCNJ5KCNJ3
SCHEMBL8638285 0.81 PDE4B (0.41) MEN1KMT2A
SCHEMBL8634361 0.80 BRD4 (0.39) MEN1KMT2APOLB

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