SCHEMBL11529508

SCHEMBL11529508

CNC(=S)N1CCCCC1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
GAA P10253 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 3/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL20203666 0.76 ALDH1A1 (0.57) GAAKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL24151176 0.76 HPGD (0.44) HTTGAANPC1RAB9ANPSR1
SCHEMBL7107767 0.76 ALDH1A1 (0.57) GAAKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL6811055 0.75 HPGD (0.47) HTTGAANPC1RAB9ANPSR1
SCHEMBL18476884 0.74 KMT2A (0.43) HTTKMT2ALMNAPOLBMEN1
SCHEMBL11524848 0.72 MGLL (0.54) HTTL3MBTL1MAPTKMT2ALMNA
SCHEMBL4028484 0.70 HPGD (0.60) GAAKMT2ALMNAHPGDALDH1A1
SCHEMBL7478058 0.69 ALDH1A1 (0.50) GAAMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL24069592 0.69 HPGD (0.38) HTTGAANPC1RAB9ANPSR1
SCHEMBL14930583 0.69 ALDH1A1 (0.50) GAAMAPTHPGDALDH1A1SMN1; SMN2

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