SCHEMBL9194074

SCHEMBL9194074

COc1ccc(Sc2ccc(C(=O)NC(=N)N)cc2S(N)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.46
▸ CA2 P00918 8/20 0.41
▸ CA1 P00915 6/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CA4 P22748 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ F2 P00734 1/20 0.37

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
SCHEMBL9195550 0.88 LMNA (0.46) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL9194119 0.85 KDM4E (0.44) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL9189602 0.85 CA2 (0.47) CA2CA1CA9MAPTCA4
Hydrochloric Acid SCHEMBL9196592 0.84 CA2 (0.46) CA2CA1CA9MAPTCA4
SCHEMBL27333139 0.83 PLAU (0.40) CA2CA1CA9TP53CA4
SCHEMBL9194084 0.80 SLC9A1 (0.44) PTGIRCA2
SCHEMBL9194954 0.79 CA1 (0.47) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL9196550 0.78 PKM (0.63) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL8832315 0.76 PDE7A (0.40) ALDH1A1KMT2AMAPTPKMLMNA
SCHEMBL9191825 0.76 CA1 (0.42) CA2CA1CA9CA4PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416499-B1 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AG (DE) 1995-04-26 — — EP disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 — — US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 — — US disclosed
CN-1050018-A Benzoylguanidines, they the preparation method, they are as the application of medicament and the medicament that contains them HOECHST AG (DE) 1991-03-20 — — CN disclosed
EP-0416499-A2 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 — — EP disclosed
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