SCHEMBL9436729

SCHEMBL9436729

CC1CC(C)CN(S(=O)(=O)c2cc(C(=O)O)ccc2N2CCCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 2/20 0.50
GAA P10253 4/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 3/20 0.49
HSD17B10 Q99714 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.46
SLC9A1 P19634 1/20 0.46
TSHR P16473 1/20 0.46
ERAP1 Q9NZ08 3/20 0.45
NR4A1 P22736 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
ERAP2 Q6P179 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL9190265 0.85 SLC9A1 (0.68) KMT2ASLC9A1
SCHEMBL11710362 0.80 SMN1; SMN2 (0.62) SMN1; SMN2TDP1GAAPOLBL3MBTL1
SCHEMBL11184578 0.79 TDP1 (0.67) SMN1; SMN2TDP1POLBL3MBTL1KMT2A
SCHEMBL3677981 0.79 SMN1; SMN2 (0.48) SMN1; SMN2TDP1POLBKMT2AMEN1
SCHEMBL8086640 0.79 SMN1; SMN2 (0.48) SMN1; SMN2TDP1POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL11714616 0.79 SMN1; SMN2 (0.61) SMN1; SMN2TDP1GAAPOLBL3MBTL1
SCHEMBL9436719 0.79 SLC9A1 (0.68) SMN1; SMN2TDP1GAAKDM4EPOLB
SCHEMBL11711961 0.78 SMN1; SMN2 (0.64) SMN1; SMN2TDP1GAAL3MBTL1LMNA
Hydrochloric Acid SCHEMBL11711399 0.77 SMN1; SMN2 (0.62) SMN1; SMN2TDP1GAAL3MBTL1LMNA
SCHEMBL9196797 0.77 SLC9A1 (0.66) SMN1; SMN2TDP1GAAKDM4EPOLB

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