SCHEMBL8003733

SCHEMBL8003733

COc1ccc(Cl)cc1NC(=O)CCCCNC1=C(C(=N)C(F)(F)F)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
POLB P06746 5/20 0.48
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 6/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8004651 0.97 HPGD (0.52) HPGDKMT2AMEN1POLBMAPT
SCHEMBL7992235 0.83 LMNA (0.46) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8001897 0.79 HDAC1 (0.48) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10115015 0.70 KMT2A (0.58) HPGDKMT2AMEN1POLBSMN1; SMN2
SCHEMBL1893639 0.69 MAPT (0.79) HPGDKMT2AMEN1POLBMAPT
SCHEMBL10115234 0.68 MEN1 (0.58) HPGDKMT2AMEN1POLBSMN1; SMN2
SCHEMBL9468747 0.68 KMT2A (0.82) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL1006583 0.68 MAPT (0.81) HPGDKMT2AMEN1POLBMAPT
SCHEMBL2011023 0.68 MEN1 (1.00) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL14192656 0.66 KMT2A (0.82) KMT2AMEN1POLBMAPTSMN1; SMN2

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-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed