SCHEMBL9130518

SCHEMBL9130518

NC(=S)N/N=C1/CCCC/C1=N/O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CTSL P07711 11/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL9130522 1.00 KDM4E (0.39) KDM4EALDH1A1LMNACTSLL3MBTL1
SCHEMBL3070503 0.92 KDM4E (0.44) KDM4EALDH1A1LMNACTSLL3MBTL1
SCHEMBL3070506 0.92 KDM4E (0.44) KDM4EALDH1A1LMNACTSLL3MBTL1
SCHEMBL4100479 0.74 KMT2A (0.52) KDM4EALDH1A1LMNANPSR1MEN1
SCHEMBL27943531 0.72 KMT2A (0.55) KDM4EALDH1A1LMNANPSR1MEN1
SCHEMBL941085 0.72 KMT2A (0.55) KDM4EALDH1A1LMNANPSR1MEN1
SCHEMBL467998 0.72 KMT2A (0.54) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL13609696 0.72 KMT2A (0.54) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL187817 0.72 KMT2A (0.54) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3809677 0.69 TSHR (0.56) ALDH1A1LMNAL3MBTL1NPSR1MEN1

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-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US claimed
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed