SCHEMBL7719040

SCHEMBL7719040

CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(OCc3ccccc3)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.50
F13A1 P00488 3/20 0.50
TGM1 P22735 3/20 0.50
BRD4 O60885 2/20 0.50
RORC P51449 5/20 0.47
PKM P14618 3/20 0.46
TSHR P16473 1/20 0.46
CCR5 P51681 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM5 P08912 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL7719046 1.00 TGM2 (0.50) TGM2F13A1TGM1BRD4RORC
SCHEMBL30990611 0.95 PKM (0.52) TGM2F13A1TGM1RORCPKM
SCHEMBL24571914 0.84 PKM (0.50) TGM2F13A1TGM1RORCPKM
SCHEMBL7721392 0.84 BRD4 (0.54) TGM2F13A1TGM1BRD4PKM
SCHEMBL7698054 0.84 BRD4 (0.54) TGM2F13A1TGM1BRD4PKM
SCHEMBL32665614 0.82 MTNR1A (0.51) KMT2AL3MBTL1
SCHEMBL32665295 0.82 MTNR1A (0.51) KMT2AL3MBTL1
SCHEMBL32665202 0.80 CKS1B (0.52) TSHRHTTKMT2AL3MBTL1
SCHEMBL24571938 0.80 TGM2 (0.49) TGM2F13A1TGM1RORCPKM
SCHEMBL29640929 0.80 TGM2 (0.49) TGM2F13A1TGM1RORCPKM

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-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed