SCHEMBL19563286

SCHEMBL19563286

CN(CC(=O)OC(C)(C)C)C(=O)C(Cc1ccccc1)OC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BCL2 P10415 3/20 0.41
FPR2 P25090 3/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPR3 P17342 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SCN9A Q15858 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HDAC8 Q9BY41 1/20 0.38
CTSS P25774 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
SCHEMBL16748864 1.00 MEN1 (0.45) MEN1KMT2ANPC1RAB9ABCL2
SCHEMBL16748858 0.88 MEN1 (0.50) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL19563375 0.88 MEN1 (0.50) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL19563366 0.85 AAK1 (0.41) MEN1KMT2ABCL2FPR2MAPT
SCHEMBL18086997 0.85 AAK1 (0.41) MEN1KMT2ABCL2FPR2MAPT
SCHEMBL19563314 0.83 MEN1 (0.52) MEN1KMT2ANPC1RAB9ABCL2
SCHEMBL16748805 0.83 MEN1 (0.52) MEN1KMT2ANPC1RAB9ABCL2
SCHEMBL19563341 0.83 MEN1 (0.50) MEN1KMT2ANPC1RAB9ABCL2
SCHEMBL16748816 0.83 MEN1 (0.50) MEN1KMT2ANPC1RAB9ABCL2
SCHEMBL19547884 0.80 MEN1 (0.45) MEN1KMT2ANPC1RAB9AFPR2

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-3071548-B1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-11-08 EP disclosed