SCHEMBL11275322

SCHEMBL11275322

CC(C)C(C(=O)OC(C#N)c1cc(Oc2ccccc2)c2ccccc2n1)C(C)C=C(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32
EGLN2 Q96KS0 10/20 0.32
EGLN1 Q9GZT9 7/20 0.32
BRAF P15056 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 2/20 0.30
POLB P06746 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL11272118 0.91 TOP2A (0.32) ALDH1A1TOP2ATOP2BBRAFMAPK14
SCHEMBL11273016 0.84 ALDH1A1 (0.36) ALDH1A1TDP1TOP2ATOP2BEGLN2
SCHEMBL11277961 0.81 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL11274778 0.80 TOP2A (0.32) ALDH1A1TDP1TOP2ATOP2BBRAF
SCHEMBL11276790 0.80 ALDH1A1 (0.38) ALDH1A1TDP1EGLN2EGLN1KDM4E
SCHEMBL11274889 0.79 L3MBTL1 (0.34) ALDH1A1TDP1TOP2ATOP2BEGLN2
SCHEMBL11283712 0.79 TOP2A (0.37) TOP2ATOP2BBRAFMAPK14ALOX15
SCHEMBL11300912 0.78 TDP1 (0.58) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL11272139 0.77 ALDH1A1 (0.36) ALDH1A1TDP1TOP2ATOP2BKDM4E
SCHEMBL11281949 0.76 PTGS1 (0.31) ALDH1A1TDP1LMNAHTT

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed