SCHEMBL11530304

SCHEMBL11530304

CCNC(=S)N(CC)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MGLL Q99685 2/20 0.60
GAA P10253 2/20 0.57
MAPK1 P28482 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL11527812 0.93 GAA (0.65) ALDH1A1MGLLGAAMEN1KMT2A
SCHEMBL11662593 0.88 ALDH1A1 (0.67) ALDH1A1MGLLGAAMAPK1MAPT
SCHEMBL5455476 0.81 MAPK1 (0.81) ALDH1A1MGLLGAAMAPK1MAPT
SCHEMBL11524887 0.81 CA12 (0.56) ALDH1A1MGLLGAAMEN1KMT2A
SCHEMBL965736 0.79 LMNA (0.64) ALDH1A1MGLLMAPK1MEN1KMT2A
SCHEMBL19494112 0.79 L3MBTL1 (0.68) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL3190624 0.77 ALDH1A1 (0.69) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL21603953 0.77 MGLL (0.66) ALDH1A1MGLLMAPK1MAPTMEN1
SCHEMBL22559961 0.75 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL28659300 0.75 MGLL (0.64) ALDH1A1MGLLMAPK1MAPTMEN1

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