SCHEMBL8439862

SCHEMBL8439862

CCc1cc(Oc2cccc(OC)c2)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MTNR1B P49286 6/20 0.42
LMNA P02545 1/20 0.41
PYGM P11217 1/20 0.40
MTNR1A P48039 2/20 0.40
P2RX4 Q99571 1/20 0.40
SLC1A5 Q15758 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8439132 0.89 KDM4E (0.43) KDM4EPOLBMEN1KMT2A
SCHEMBL8441401 0.89 L3MBTL1 (0.41) KDM4EPOLB
SCHEMBL8441933 0.88 CASP1 (0.43) KDM4EPOLBLMNA
SCHEMBL8441904 0.87 PTGER4 (0.40) KDM4EPOLBSLC1A5
SCHEMBL8440073 0.87 P2RX4 (0.43) LMNAP2RX4
SCHEMBL8441913 0.85 KDM4E (0.58) KDM4EPOLBLMNAPYGMMEN1
SCHEMBL8441432 0.85 MEN1 (0.43) KDM4EPOLBLMNAMEN1KMT2A
SCHEMBL8440212 0.85
SCHEMBL8441118 0.84 KCNQ3 (0.44) KDM4ELMNA
SCHEMBL8438239 0.83 HTT (0.54) KDM4EPOLBLMNAKMT2A

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
EP-0708088-B1 Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 1999-03-24 EP disclosed
US-5700839-A ANTIARRYTHMIA AGENTS; ACT AS INHIBITORS OF THE CELLULAR NA+/H+ ANTIPORTER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-23 US disclosed
EP-0708088-A1 Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1996-04-24 EP disclosed