SCHEMBL9436726

SCHEMBL9436726

COC(=O)c1ccc(SC2CCCCC2)c(S(C)(=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
VCAM1 P19320 1/20 0.45
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA2 P00918 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA5B Q9Y2D0 3/20 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
SCHEMBL9192097 0.80 CA2 (0.42) HPGDALDH1A1SMN1; SMN2NPSR1CA2
SCHEMBL9192103 0.80 SLC9A1 (0.57)
SCHEMBL8896076 0.78 VCAM1 (0.48) HPGDVCAM1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8896458 0.76 VCAM1 (0.49) VCAM1ALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL507527 0.74 HPGD (0.56) HPGDALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL8894967 0.73 VCAM1 (0.51) HPGDVCAM1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8895236 0.73 VCAM1 (0.43) HPGDVCAM1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8915861 0.73 PDE4A (0.44) HPGDVCAM1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL24495374 0.73 CA2 (0.58) HPGDCA2KMT2ACA12CA1
SCHEMBL29831649 0.73 CA2 (0.58) HPGDCA2KMT2ACA12CA1

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