SCHEMBL9436740

SCHEMBL9436740

NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
GAA P10253 3/20 0.64
HSD17B10 Q99714 2/20 0.64
POLB P06746 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
SLC6A4 P31645 1/20 0.58
HIF1A Q16665 1/20 0.58
SLC9A1 P19634 1/20 0.54
ERAP1 Q9NZ08 7/20 0.52
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MMP2 P08253 1/20 0.50
ERAP2 Q6P179 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL11533929 0.87 SLC9A1 (0.56) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL11768216 0.86 KDM4E (0.47) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL11708034 0.86 KDM4E (0.51) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL9436719 0.85 SLC9A1 (0.68) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL9196797 0.84 SLC9A1 (0.66) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL11536336 0.83 SLC9A1 (0.50) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL9194834 0.82 SLC9A1 (0.80) SLC9A1MMP2
Hydrochloric Acid SCHEMBL9436759 0.81 SLC9A1 (0.78) SLC9A1MMP2
SCHEMBL9436694 0.81 NPSR1 (0.56) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL11710040 0.80 DRD2 (0.51) KDM4EGAAHSD17B10POLBTDP1

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
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