SCHEMBL2335192

SCHEMBL2335192

CCN(c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)C1CNCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
ESR2 Q92731 1/20 0.40
NR1H2 P55055 2/20 0.39
MAPK1 P28482 1/20 0.39
NAMPT P43490 3/20 0.39
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ROCK2 O75116 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABHD6 Q9BV23 1/20 0.34
TGFBR1 P36897 1/20 0.34
BCL2 P10415 1/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33

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
SCHEMBL23253904 0.73 ESR2 (0.54) HDAC1DDB1CRBNESR2NR1H2
SCHEMBL38653719 0.73 ESR2 (0.54) HDAC1DDB1CRBNESR2NR1H2
SCHEMBL3328949 0.72 HDAC1 (0.44) HDAC1DDB1CRBNESR2NR1H2
SCHEMBL4585780 0.70 TMEM97 (0.43) HDAC1DDB1CRBNESR2MAPK1
SCHEMBL28892610 0.68 ESR2 (0.51) HDAC1DDB1CRBNESR2NR1H2
SCHEMBL28863446 0.67 HDAC1 (0.48) HDAC1DDB1CRBNESR2NR1H2
SCHEMBL3876205 0.67 DDB1 (0.58) HDAC1DDB1CRBNESR2NR1H2
SCHEMBL4247895 0.67 PDK2 (0.52) HDAC1DDB1CRBNESR2NR1H2
SCHEMBL5183098 0.67 MAPK1 (0.64) HDAC1DDB1CRBNESR2NR1H2
SCHEMBL29676965 0.67 MAPK1 (0.64) HDAC1DDB1CRBNESR2NR1H2

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-2358736-A1 THERAPEUTIC ANTIVIRAL PEPTIDES Intermune, Inc. (US) 2011-08-24 EP disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO disclosed