SCHEMBL11529360

SCHEMBL11529360

C=CCN(CC=C)C(=S)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL11444509 0.79 EPHX1 (0.45) HTTALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL17956791 0.79 ALDH1A1 (0.37) HTTALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL11529346 0.76 HTT (0.53) HTTL3MBTL1ALDH1A1TP53CYP3A4
SCHEMBL9792171 0.73 SIGMAR1 (0.45) HTTALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL3483261 0.72 HTT (0.47) HTTL3MBTL1ALDH1A1TP53CYP3A4
SCHEMBL5452912 0.71 ALDH1A1 (0.51) HTTL3MBTL1ALDH1A1TP53CYP3A4
SCHEMBL22400004 0.71 MEN1 (0.53) HTTL3MBTL1ALDH1A1TP53CYP3A4
SCHEMBL3483201 0.70 ALDH1A1 (0.46) HTTL3MBTL1ALDH1A1TP53CYP3A4
SCHEMBL11439774 0.70 ALDH1A1 (0.58) HTTL3MBTL1ALDH1A1TP53CYP3A4
SCHEMBL3482897 0.69 PKM (0.47) HTTL3MBTL1ALDH1A1TP53CYP3A4

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-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed