SCHEMBL3395672

SCHEMBL3395672

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3cccnc3)nc2Cl)SC[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
DUSP10 Q9Y6W6 1/20 0.33
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
CYP17A1 P05093 2/20 0.32

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
SCHEMBL314785 1.00 NPC1 (0.36) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL315052 0.91
SCHEMBL3398537 0.91
SCHEMBL315009 0.89 CASP1 (0.32) MAPTMKNK1MKNK2
SCHEMBL3400288 0.89 CASP1 (0.32) MAPTMKNK1MKNK2
SCHEMBL314854 0.84 CYP2A6 (0.39) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL314853 0.84 CYP2A6 (0.39) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL316661 0.84 MKNK1 (0.36) MAPTALDH1A1MKNK1MKNK2CYP11B1
SCHEMBL2410997 0.84 CHRNB4 (0.42) POLBALDH1A1MKNK1MKNK2CYP11B1
SCHEMBL2411000 0.84 CHRNB4 (0.42) POLBALDH1A1MKNK1MKNK2CYP11B1

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
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed