SCHEMBL9192097

SCHEMBL9192097

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1SC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.42
HPGD P15428 1/20 0.41
CA12 O43570 10/20 0.40
CA1 P00915 10/20 0.40
CA4 P22748 10/20 0.40
CA6 P23280 10/20 0.40
CA7 P43166 10/20 0.40
CA9 Q16790 10/20 0.40
CA13 Q8N1Q1 10/20 0.40
CA14 Q9ULX7 10/20 0.40
CA5B Q9Y2D0 10/20 0.40
CA3 P07451 8/20 0.40
CA5A P35218 8/20 0.39
CNR2 P34972 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
ALOX12 P18054 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 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
SCHEMBL9436726 0.80 HPGD (0.62) CA2HPGDCA12CA1CA4
Hydrochloric Acid SCHEMBL8899656 0.80 SLC9A1 (0.47) CNR2KMT2ASMN1; SMN2
SCHEMBL9192103 0.80 SLC9A1 (0.57)
SCHEMBL9191872 0.80 CNR2 (0.39) CA2CA12CA1CA4CA6
Hydrochloric Acid SCHEMBL8816045 0.79 CNR2 (0.39) CA2CA12CA1CA4CA6
Hydrochloric Acid SCHEMBL8896320 0.78 SLC9A1 (0.47) CNR2KMT2AMAPTLMNAHTT
SCHEMBL9192656 0.77 ALOX15 (0.46) CA2HPGDCA1CA6CA7
SCHEMBL9190380 0.76 KMT2A (0.39) HPGDCNR2KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL8896835 0.75 SLC9A1 (0.49) CNR2KMT2A
Hydrochloric Acid SCHEMBL8915213 0.75 PDE4A (0.37) CA2CNR2KMT2ASMN1; SMN2

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 4 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
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