SCHEMBL8446987

SCHEMBL8446987

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1Oc1ccc(C(=S)Cc2ncc[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 3/20 0.35
MRGPRX1 Q96LB2 1/20 0.33
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
SCN9A Q15858 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.32
NAMPT P43490 2/20 0.32

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 SCHEMBL8059595 0.99 GAA (0.38) GAAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8073882 0.85 GAA (0.39) GAAHTTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8073855 0.85 GAA (0.35) GAAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8446360 0.83 TSHR (0.45) GAAHTTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8070337 0.83 MAPT (0.38) GAAHTTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8068543 0.83 TSHR (0.45) GAAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8446986 0.81 CTSZ (0.40) GAASMN1; SMN2ALDH1A1KDM4ESCN9A
Hydrochloric Acid SCHEMBL8073711 0.81 ADRA1A (0.39) KLK1F10
Hydrochloric Acid SCHEMBL8073857 0.81 F10 (0.32) SMN1; SMN2ALDH1A1KDM4ESCN9ATHRA
SCHEMBL8068683 0.81 SMN1; SMN2 (0.41) HTTSMN1; SMN2KDM4EMRGPRX1LMNA

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 claimed
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