SCHEMBL3853382

SCHEMBL3853382

CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CC(C)(C)OC(=O)Nc1ccc(Br)cn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
AAK1 Q2M2I8 2/20 0.45
USP30 Q70CQ3 1/20 0.45
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
BCL2 P10415 1/20 0.42
RAB9A P51151 7/20 0.40
NPC1 O15118 4/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL860377 0.93 DGAT1 (0.53) DGAT1AAK1USP30PRMT5WDR77
SCHEMBL283737 0.84 RAB9A (0.51) BCL2RAB9ANPC1TP53MAPK1
SCHEMBL29372377 0.84 RAB9A (0.51) BCL2RAB9ANPC1TP53MAPK1
SCHEMBL3791054 0.81 DGAT1 (0.54) DGAT1AAK1USP30
SCHEMBL30400446 0.81 DGAT1 (0.54) DGAT1AAK1USP30
SCHEMBL1180976 0.78 AAK1 (0.47) DGAT1AAK1USP30PRMT5WDR77
SCHEMBL19195067 0.78 DGAT1 (0.50) DGAT1AAK1USP30PRMT5WDR77
SCHEMBL29967445 0.78 DGAT1 (0.50) DGAT1AAK1USP30PRMT5WDR77
SCHEMBL20227776 0.78 GSK3B (0.49) DGAT1AAK1USP30PRMT5WDR77
SCHEMBL2119494 0.77 DGAT1 (0.53) DGAT1AAK1USP30RAB9ANPC1

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-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 EP disclosed