SCHEMBL2452227

SCHEMBL2452227

COC(=O)C=Cc1cccc(NC(=O)c2ccc(N3CCN(C(=O)O)C(C(C)(C)C)C3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
SNCA P37840 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MCHR1 Q99705 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNK9 Q9NPC2 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FLT3 P36888 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
SCHEMBL2452210 1.00 PKM (0.46) PKMSNCAL3MBTL1MAPTHSD17B10
SCHEMBL11889803 0.85 PKM (0.51) PKMSNCAL3MBTL1MAPTHSD17B10
SCHEMBL11889804 0.85 PKM (0.51) PKMSNCAL3MBTL1MAPTHSD17B10
SCHEMBL2453976 0.82 MAPT (0.48) MAPTHSD17B10KDM4ETP53TSHR
SCHEMBL4134491 0.79 SMN1; SMN2 (0.49) PKML3MBTL1MAPTHSD17B10TP53
SCHEMBL2452211 0.79 SMN1; SMN2 (0.49) PKML3MBTL1MAPTHSD17B10TP53
SCHEMBL11889812 0.79 MAPT (0.49) L3MBTL1MAPTHSD17B10TP53TSHR
SCHEMBL2455587 0.77 NPC1 (0.51) PKML3MBTL1MAPTHSD17B10KDM4E
SCHEMBL2458115 0.77 NPC1 (0.51) PKML3MBTL1MAPTHSD17B10KDM4E
SCHEMBL2451683 0.76 KMT2A (0.57) PKML3MBTL1MAPTHSD17B10KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799663-B1 Modulators of HCV replication ANGELETTI P IST RICHERCHE BIO (IT) 2012-08-01 EP claimed
US-8012982-B2 Modulators of HCV replication ISTITUTO DI RICERCHE BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-09-06 US claimed