SCHEMBL14211413

SCHEMBL14211413

COCCCN1C(=O)CC(=O)N(C)C1=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 4/20 0.35
RECQL P46063 2/20 0.35
RXFP1 Q9HBX9 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL11694282 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL11868886 0.81 KDM4E (0.43) ALDH1A1MAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL11806010 0.80 ALDH1A1 (0.55) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL8976843 0.80 ALDH1A1 (0.41) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL32675956 0.77 MAPT (0.53) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL11872002 0.77 MAPT (0.33) ALDH1A1MAPTHTTHPGDL3MBTL1
SCHEMBL6374912 0.74 F2 (0.37) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL11803743 0.73 ALDH1A1 (0.49) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL13316488 0.72 SMN1; SMN2 (0.55) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL11807557 0.72 ALDH1A1 (0.40) ALDH1A1MAPTHTTHPGDSMN1; 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-8329390-B2 Detection of transmembrane potentials using N,N,N′-trialkyl thiobarbituric acid-derived polymethine oxonols ANASPEC INCORPORATED (US) 2012-12-11 US disclosed
US-8329390-B2 Detection of transmembrane potentials using N,N,N′-trialkyl thiobarbituric acid-derived polymethine oxonols ANASPEC INCORPORATED (US) 2012-12-11 US disclosed