SCHEMBL7075700

SCHEMBL7075700

C=CCCC(=O)NC(CCSC)C(=O)OCC#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC2 Q92769 1/20 0.34
USP2 O75604 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
PGGT1B P53609 1/20 0.33

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
SCHEMBL7075702 1.00 CYP2C9 (0.40) CYP2C9CTSSCTSKTSHRALDH1A1
SCHEMBL15083219 0.87 KMT2A (0.39) KMT2APOLBL3MBTL1HDAC2
SCHEMBL16289167 0.87 KMT2A (0.39) KMT2APOLBL3MBTL1HDAC2
SCHEMBL16288547 0.85 KMT2A (0.32) ALDH1A1KMT2APOLB
SCHEMBL15083070 0.85 KMT2A (0.32) ALDH1A1KMT2APOLB
SCHEMBL15083156 0.85
SCHEMBL16288400 0.85
SCHEMBL21837900 0.82 KMT2A (0.39) KMT2APOLBL3MBTL1
SCHEMBL21837642 0.82 KMT2A (0.39) KMT2APOLBL3MBTL1
SCHEMBL21837899 0.82 KMT2A (0.39) KMT2APOLBL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003059926-A2 METHODS AND COMPOSITIONS FOR AMINOACYL-tRNA SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2003-07-24 WO disclosed