SCHEMBL6744220

SCHEMBL6744220

CN1CCS/C1=C/C=C1\SC(=S)N(CC(=O)O)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 1.00
MEN1 O00255 11/20 1.00
MAPT P10636 11/20 1.00
ALDH1A1 P00352 8/20 1.00
USP2 O75604 4/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
MCOLN3 Q8TDD5 2/20 1.00
TNNI3 P19429 2/20 1.00
TNNT2 P45379 2/20 1.00
TNNC1 P63316 2/20 1.00
PPARG P37231 1/20 1.00
NCOA2 Q15596 1/20 1.00
NCOA1 Q15788 1/20 1.00
NPC1 O15118 6/20 0.73
RAB9A P51151 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
POLB P06746 4/20 0.69

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
SCHEMBL10623094 1.00 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL6744224 1.00 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL9364242 0.86 KMT2A (0.75) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL8517363 0.86 KMT2A (0.75) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL10778496 0.85 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL10778499 0.85 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL11308526 0.85 ALDH1A1 (1.00) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL9491697 0.82 KMT2A (0.69) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL9491695 0.82 KMT2A (0.69) KMT2AMEN1MAPTALDH1A1USP2
SCHEMBL10356251 0.80 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1USP2

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-20040196778-A1 Digital optical data carrier in disc format DIERKS DIETER (DE) 2004-10-07 US claimed
US-20040196778-A1 Digital optical data carrier in disc format DIERKS DIETER (DE) 2004-10-07 US disclosed