SCHEMBL21035442

SCHEMBL21035442

CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CN(Cc3ccc(-c4ccc(Cl)cc4)cc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 9/20 0.40
MMP13 P45452 9/20 0.40
MMP9 P14780 4/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
LMNA P02545 1/20 0.39
ADAM17 P78536 7/20 0.39
CCR4 P51679 1/20 0.38
APP P05067 1/20 0.38
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
NAMPT P43490 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL21035340 1.00 MEN1 (0.41) MEN1KMT2AMMP1MMP13MMP9
SCHEMBL21035600 1.00 MEN1 (0.41) MEN1KMT2AMMP1MMP13MMP9
SCHEMBL21036229 0.94 GPR119 (0.39) MEN1KMT2AMMP1MMP13MMP9
SCHEMBL21034944 0.94 PRKAA2 (0.40) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035090 0.94 GPR119 (0.40) MEN1KMT2AMMP1MMP13MMP9
SCHEMBL21035088 0.93 KMT2A (0.39) MEN1KMT2AMMP1MMP13MMP9
SCHEMBL21035604 0.93 SCN9A (0.39) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035503 0.93 EPHX2 (0.39) MMP1MMP13MMP9MMP3MMP7
SCHEMBL21035052 0.91 MMP1 (0.40) KMT2AMMP1MMP13MMP9MMP3
SCHEMBL21034965 0.91 MMP1 (0.40) KMT2AMMP1MMP13MMP9MMP3

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
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed