SCHEMBL8634362

SCHEMBL8634362

Cc1cc(N(c2ccccc2)c2ccccc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC9A1 P19634 1/20 0.37
BCAT2 O15382 1/20 0.35

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
SCHEMBL8635012 0.88 NSD2 (0.36) NSD2ESR1POLBAPEX1RECQL
SCHEMBL8635246 0.85 LMNA (0.35) NSD2ESR1POLBAPEX1RECQL
SCHEMBL7761328 0.81 SLC9A1 (0.64) SLC9A1
SCHEMBL8638285 0.79 PDE4B (0.41)
SCHEMBL8633203 0.78 MEN1 (0.35) ESR1POLBSLC9A1
SCHEMBL8634338 0.78 ALDH1A1 (0.38) POLBSLC9A1
SCHEMBL8635496 0.77 ALDH1A1 (0.39) POLBL3MBTL1SLC9A1
SCHEMBL8634555 0.77 MKNK1 (0.38) RECQLL3MBTL1
SCHEMBL8635629 0.76 FLT1 (0.36) POLBTDP1SLC9A1
SCHEMBL8635339 0.76 MTNR1A (0.42) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed