SCHEMBL14539643

SCHEMBL14539643

CC(C)Nc1nc(-c2ccc3c(c2)CN(C(=O)O)C3)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
MAPT P10636 9/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 10/20 0.43
NPC1 O15118 9/20 0.43
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ABL1 P00519 1/20 0.40
XIAP P98170 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8280136 0.85 ROCK2 (0.45) TYRMAPTMEN1KMT2ARAB9A
SCHEMBL586725 0.77 TYR (0.48) TYRMAPTMEN1KMT2ARAB9A
SCHEMBL330127 0.76 TYR (0.47) TYRMAPTMEN1KMT2ARAB9A
SCHEMBL1475441 0.74 CSNK2A1 (0.59) TYRMAPTMEN1KMT2ARAB9A
SCHEMBL1474762 0.73 CSNK2A1 (0.56) TYRMAPTMEN1KMT2ARAB9A
SCHEMBL12767914 0.72 TYR (0.62) TYRMAPTMEN1KMT2ARAB9A
SCHEMBL8225940 0.72 NAMPT (0.50) NAMPTHDAC1
SCHEMBL24590352 0.70 TYR (0.67) TYRMAPTMEN1KMT2ARAB9A
SCHEMBL1745407 0.70 MEN1 (0.60) TYRMAPTMEN1KMT2ARAB9A
SCHEMBL24590163 0.69 MAPT (0.57) TYRMAPTMEN1KMT2ARAB9A

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
WO-2007044893-A2 COMPOUNDS AND METHODS FOR INHIBITING HEPATITIS C VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-19 WO disclosed