SCHEMBL8446010

SCHEMBL8446010

CC(NS(=O)(=O)c1ccc(Oc2ccc(C(=O)O)cc2S(C)(=O)=O)cc1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ADAMTS4 O75173 4/20 0.42
MMP9 P14780 2/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP13 P45452 2/20 0.39
CASP1 P29466 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 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
Hydrochloric Acid SCHEMBL8445988 0.86 L3MBTL1 (0.37) ADAMTS4MMP9LMNAHTTL3MBTL1
SCHEMBL8447163 0.84 NPSR1 (0.41) MAPTNPSR1ADAMTS4MMP9ALDH1A1
SCHEMBL8070495 0.79 KDM4E (0.67) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL8447165 0.77 NPSR1 (0.45) NPSR1ADAMTS4MMP9ALDH1A1LMNA
SCHEMBL7995261 0.76 TTR (0.61) NPSR1ALDH1A1POLB
SCHEMBL8059681 0.75 TTR (0.45) MAPTNPSR1L3MBTL1POLBSMN1; SMN2
SCHEMBL8073502 0.75 TTR (0.51) MAPTNPSR1ALDH1A1L3MBTL1POLB
SCHEMBL8059678 0.74 NPSR1 (0.44) NPSR1ADAMTS4ALDH1A1LMNAL3MBTL1
SCHEMBL8059524 0.74 KDM4E (0.50) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL8070492 0.74 PKM (0.46) MAPTKDM4ENPSR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723956-B1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AG (DE) 1999-10-13 EP disclosed
EP-0723956-A1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed