SCHEMBL3284599

SCHEMBL3284599

CN(C)c1ccc(CC(=O)N2CCc3ccc(C(=O)O)cc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.49
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
PRMT5 O14744 4/20 0.46
WDR77 Q9BQA1 4/20 0.46
MYC P01106 1/20 0.46
MEN1 O00255 2/20 0.46
NLRP3 Q96P20 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PANK3 Q9H999 2/20 0.43
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HPGD P15428 1/20 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
SCHEMBL3280325 0.89 HDAC6 (0.52) KMT2ANPC1RAB9AABCB1ABCC1
SCHEMBL3282233 0.84 MYC (0.58) KMT2APRMT5WDR77MYCMEN1
SCHEMBL3284716 0.80 MAPT (0.54) KMT2ANPC1RAB9APRMT5WDR77
SCHEMBL29374171 0.80 PRMT5 (0.57) KMT2APRMT5WDR77MYCMEN1
SCHEMBL3286990 0.80 NPC1 (0.52) KMT2ANPC1RAB9AABCB1ABCC1
Hydroxyamine SCHEMBL6531474 0.78 KDM4E (0.47) KMT2ANPC1MYCMEN1NLRP3
SCHEMBL3287779 0.78 KDM4E (0.49) KMT2ANPC1MYCMEN1NLRP3
SCHEMBL3280327 0.78 RXRA (0.41) KMT2AHRH3RXRARXRBRXRG
SCHEMBL28242857 0.76 PRMT5 (0.52) KMT2ANPC1PRMT5WDR77MYC
SCHEMBL3287775 0.76 MYC (0.57) KMT2APRMT5WDR77MYCHPGD

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
US-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed