SCHEMBL13009097

SCHEMBL13009097

COP(=O)(O)C(C(=O)Nc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c2ccccc2c1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.50
CTSG P08311 4/20 0.49
CMA1 P23946 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.43
MASP2 O00187 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41

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
SCHEMBL409062 0.92 CMA1 (0.57) MGLLCTSGCMA1L3MBTL1MASP2
SCHEMBL13009387 0.89 MGLL (0.48) MGLLCTSGCMA1L3MBTL1KMT2A
SCHEMBL14000867 0.85 CTSG (0.49) MGLLCTSGCMA1L3MBTL1KMT2A
SCHEMBL410155 0.84 CMA1 (0.57) MGLLCTSGCMA1L3MBTL1KMT2A
SCHEMBL8290988 0.82 MGLL (0.47) MGLLCTSGCMA1L3MBTL1KMT2A
SCHEMBL13996273 0.81 CTSG (0.52) MGLLCTSGCMA1L3MBTL1MASP2
SCHEMBL8291221 0.81 MGLL (0.49) MGLLCTSGCMA1L3MBTL1KMT2A
SCHEMBL8291194 0.80 MGLL (0.55) MGLLL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL15290587 0.79 MGLL (0.54) MGLLL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL27668978 0.79 MGLL (0.67) MGLLL3MBTL1KMT2AALDH1A1KDM4E

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-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed