SCHEMBL8638262

SCHEMBL8638262

COc1ccccc1N(C)c1cc(C)c(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL8634165 0.87 ESR1 (0.39) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8633203 0.84 MEN1 (0.35) KMT2AMEN1POLB
SCHEMBL7764017 0.84 SLC9A1 (0.56)
SCHEMBL8635496 0.83 ALDH1A1 (0.39) KMT2AALDH1A1LMNAMAPTPOLB
SCHEMBL8635012 0.82 NSD2 (0.36) MAPTPOLB
SCHEMBL8635768 0.81 ALDH1A1 (0.37) ALDH1A1LMNAPOLB
SCHEMBL8632865 0.81 RORC (0.36) KMT2AMAPT
SCHEMBL8634267 0.80 KEAP1 (0.41) KMT2AMEN1ALDH1A1LMNA
SCHEMBL8635339 0.80 MTNR1A (0.42) ALDH1A1LMNA
SCHEMBL8635192 0.77 RXRA (0.35) KMT2ALMNA

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