SCHEMBL9197014

SCHEMBL9197014

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1NCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC1 Q13547 2/20 0.50
F10 P00742 2/20 0.41
SCN5A Q14524 4/20 0.40
SCN2A Q99250 4/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
PRSS1 P07477 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CDK2 P24941 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
Acetic Acid SCHEMBL9436686 0.85 HDAC8 (0.45) HDAC6HDAC8HDAC1KMT2APOLB
Hydrochloric Acid SCHEMBL8817084 0.85 KDM4E (0.43) POLBNPC1PRSS1KDM4EALDH1A1
SCHEMBL9436680 0.84 HDAC6 (0.52) HDAC6HDAC8HDAC1KMT2APOLB
Hydrochloric Acid SCHEMBL8814721 0.84 PRSS1 (0.41) PRSS1KDM4EALDH1A1LMNATSHR
SCHEMBL9194819 0.84 PTGER4 (0.47) POLBNPC1PRSS1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9192096 0.83 PTGER4 (0.46) POLBNPC1PRSS1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8816481 0.82 HCAR3 (0.38) F10KMT2ANPC1PRSS1KDM4E
SCHEMBL9197022 0.82 SLC9A1 (0.50) HDAC6HDAC8HDAC1
SCHEMBL8743856 0.81 MAPT (0.42) F10PRSS1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL8896876 0.81 SCN2A (0.40) HDAC1F10SCN5ASCN2ANPC1

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 3 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
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