SCHEMBL872636

SCHEMBL872636

CN(C)[C@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4C[C@H](N(C)C)CN4C(=O)c4ccccc4NCc4ccccc4)cc3)cc2)N(OCc2ccccc2NCc2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CFD P00746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.32
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTNNB1 P35222 5/20 0.31
TCF7L2 Q9NQB0 5/20 0.31
HTR6 P50406 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL845439 0.90 ALDH1A1 (0.38) POLBALDH1A1MAOAMAOBNAMPT
SCHEMBL872515 0.85 PIK3CA (0.33) POLBCFDMAOAMAOBNAMPT
SCHEMBL13272255 0.83 ALDH1A1 (0.33) POLBALDH1A1MAOAMAOBNAMPT
SCHEMBL873619 0.81 TP53 (0.34) ALDH1A1TSHRMEN1KMT2ABCHE
SCHEMBL845370 0.79 PIK3CA (0.37) POLBCFDNAMPTMEN1KMT2A
SCHEMBL873095 0.75 HDAC8 (0.38) POLBMAOAMAOBNAMPTBCHE
SCHEMBL845354 0.75 POLB (0.57) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL873764 0.74 TP53 (0.35)
SCHEMBL845429 0.73 CTSS (0.44) POLBALDH1A1MAOAMAOBNAMPT
SCHEMBL845682 0.73 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4ELMNA

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-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed