SCHEMBL13198744

SCHEMBL13198744

CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDGFRB P09619 1/20 0.40
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KCNQ2 O43526 1/20 0.36
MTNR1B P49286 2/20 0.36
PDE7A Q13946 1/20 0.36
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR2 Q13324 1/20 0.35
KDR P35968 1/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2885185 0.97 ALDH1A1 (0.40) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL10096650 0.91 PDGFRB (0.38) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL10096264 0.90 MEN1 (0.38) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL13198730 0.90 PDGFRB (0.41) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL10096681 0.89 PDGFRB (0.39) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL10096261 0.89 ALDH1A1 (0.43) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL10096412 0.89 ALDH1A1 (0.45) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL13198734 0.89 PDGFRB (0.41) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL2878945 0.88 EGLN2 (0.37) ALDH1A1MAPK1MEN1POLBKMT2A
SCHEMBL10096363 0.88 MTNR1B (0.42) ALDH1A1MAPK1MEN1POLBKMT2A

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
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed