SCHEMBL9194119

SCHEMBL9194119

N=C(N)NC(=O)c1ccc(Sc2ccc(Cl)cc2)c(S(N)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA1 P00915 13/20 0.41
▸ CA2 P00918 13/20 0.41
▸ CA9 Q16790 6/20 0.41
▸ CA12 O43570 4/20 0.41
▸ CA3 P07451 3/20 0.40
▸ CA4 P22748 3/20 0.40
▸ CA6 P23280 3/20 0.40
▸ CA7 P43166 3/20 0.40
▸ CA13 Q8N1Q1 3/20 0.40
▸ CA14 Q9ULX7 3/20 0.40
▸ CA5B Q9Y2D0 3/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL9189602 0.88 CA2 (0.47) MAPTCA1CA2CA9CA12
Hydrochloric Acid SCHEMBL9196592 0.87 CA2 (0.46) MAPTCA1CA2CA9CA12
SCHEMBL27333139 0.86 PLAU (0.40) KDM4ECA1CA2CA9CA12
SCHEMBL9194074 0.85 PTGIR (0.46) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL9191825 0.83 CA1 (0.42) CA1CA2CA9CA12CA3
SCHEMBL9194127 0.79 SLC9A1 (0.43) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL9189210 0.77 CA1 (0.59) KDM4ELMNAMAPTCA1CA2
Hydrochloric Acid SCHEMBL8813834 0.77 CPT2 (0.39) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL8832315 0.77 PDE7A (0.40) ALDH1A1LMNAMAPTCYP2D6CYP2C19

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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