SCHEMBL2453976

SCHEMBL2453976

CC(C)(C)C1CN(c2ccc(C(=O)Nc3cccc(Br)c3)cc2)CCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
TP53 P04637 3/20 0.46
HTT P42858 2/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MCHR1 Q99705 3/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FLT3 P36888 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL2451683 0.88 KMT2A (0.57) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL2455587 0.83 NPC1 (0.51) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL2458115 0.83 NPC1 (0.51) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL2452227 0.82 PKM (0.46) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL2452210 0.82 PKM (0.46) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL11963285 0.82 NR1H2 (0.44) MAPTSMN1; SMN2
SCHEMBL2459253 0.82 MCHR1 (0.52) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL5184275 0.81 MAPT (0.57) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL11889812 0.81 MAPT (0.49) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL29252729 0.77 AGTR2 (0.48) KMT2AMEN1ALDH1A1MAPK1TSHR

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