SCHEMBL11274778

SCHEMBL11274778

C#CC(OC(=O)C(C(C)C)C(C=C(Cl)Cl)C(C)C)c1cc(Oc2ccc(Cl)cc2)c2ccccc2n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
KDR P35968 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRAF P15056 1/20 0.31
MAPK14 Q16539 1/20 0.31

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 0.89 TOP2A (0.32) TOP2ATOP2BMAPTKDM4EKMT2A
SCHEMBL11267772 0.82 P2RX3 (0.32) KMT2AMEN1L3MBTL1
SCHEMBL11281016 0.82 LMNA (0.33) LMNAHPGDTSHRL3MBTL1
SCHEMBL11275322 0.80 ALDH1A1 (0.36) TOP2ATOP2BMAPTKDM4EKMT2A
SCHEMBL11265443 0.78 L3MBTL1 (0.31) ALDH1A1TDP1L3MBTL1
SCHEMBL11273157 0.76 PLA2G10 (0.39) TOP2ATOP2BMAPTKDM4ETP53
SCHEMBL11281949 0.75 PTGS1 (0.31) ALDH1A1LMNAHTTTDP1
SCHEMBL11274589 0.74 P2RX3 (0.33) KMT2AMEN1L3MBTL1
SCHEMBL11274546 0.74 MEN1 (0.33) KMT2AMEN1
SCHEMBL11272139 0.74 ALDH1A1 (0.36) TOP2ATOP2BKDM4EALDH1A1LMNA

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