SCHEMBL8439422

SCHEMBL8439422

CCc1cc(Oc2ccc(F)cc2)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
PTGER4 P35408 2/20 0.39
PTGER2 P43116 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 1/20 0.39
TBXA2R P21731 1/20 0.38

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) MAPTMEN1KMT2A
SCHEMBL8443395 0.89 MCL1 (0.42) MAPTMEN1KMT2ATBXA2R
SCHEMBL8441401 0.88 L3MBTL1 (0.41) MAPT
SCHEMBL8440193 0.88 MCL1 (0.42)
SCHEMBL8441343 0.87 SLC6A4 (0.43) SLC6A4MEN1KMT2A
SCHEMBL8441904 0.87 PTGER4 (0.40) SLC6A4PTGER4PTGER2
SCHEMBL8441465 0.85 BRD4 (0.43)
SCHEMBL8440231 0.85 CYP1A2 (0.43) PTGER4PTGER2
SCHEMBL8443162 0.84 CXCL8 (0.47) MAPTMEN1HTTKMT2A
SCHEMBL8441202 0.84

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