SCHEMBL8575378

SCHEMBL8575378

CS(=O)(=O)c1cc(C(=O)O)ccc1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.52
HTR6 P50406 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR4A1 P22736 1/20 0.43
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
TTR P02766 1/20 0.41

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
SCHEMBL9196797 0.87 SLC9A1 (0.66) SLC9A1SMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL11768216 0.86 KDM4E (0.47) SLC9A1HTR6SMN1; SMN2GAAKDM4E
SCHEMBL9436719 0.86 SLC9A1 (0.68) SLC9A1SMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL11718138 0.85 ALDH1A1 (0.45) HTR6SMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL22542102 0.80 ALDH1A1 (0.54) HTR6ALDH1A1
SCHEMBL2303906 0.80 HSD17B10 (0.55) HTR6GAAKDM4EHSD17B10POLB
SCHEMBL615633 0.78 KDR (0.48) HTR6
SCHEMBL2557226 0.78 USP2 (0.54) HTR6USP2ALDH1A1
SCHEMBL2307303 0.78 ADRB1 (0.50) HTR6GAAKDM4EHSD17B10POLB
SCHEMBL27950425 0.78 MYC (0.51) HTR6GAAKDM4EHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783576-A Benzoyl guanidine derivatives, the preparation thereof and their use in pharmaceutical compositions BOEHRINGER INGELHEIM KG (DE) 1998-07-21 US disclosed