SCHEMBL7661122

SCHEMBL7661122

Cc1noc(C)c1S(=O)(=O)N[C@@H](CN)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GALK1 P51570 1/20 0.38
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
ITGAV P06756 1/20 0.36
NR3C1 P04150 4/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PGR P06401 3/20 0.35

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
SCHEMBL7008707 0.83 POLB (0.45) NR3C2KMT2AITGB3ITGA2BALDH1A1
Trifluoroacetic Acid SCHEMBL7661112 0.83 NR3C2 (0.48) NR3C2KMT2AMEN1GALK1ITGB3
SCHEMBL7012078 0.80 ITGB3 (0.47) NR3C2KMT2AITGB3ITGA2BALDH1A1
SCHEMBL7661156 0.72
SCHEMBL7653133 0.71 SLC1A3 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL7015589 0.69 ITGB3 (0.45) NR3C2KMT2AITGB3ITGA2BALDH1A1
SCHEMBL7064208 0.69 ALDH1A1 (0.48) NR3C2KMT2AMEN1ITGB3ITGA2B
SCHEMBL7654081 0.68 SLC1A3 (0.45) KMT2AMEN1ITGB3ITGA2BALDH1A1
SCHEMBL7656995 0.68 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL7120652 0.67 POLB (0.41) NR3C2KMT2AMEN1ITGB3ITGA2B

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
US-6335337-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-01-01 US disclosed