SCHEMBL8006929

SCHEMBL8006929

COc1ccc(NC(=O)C(C)CCNC2=C(C(=N)C(F)(F)F)CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL8000762 0.88 MME (0.39) KLK7KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7992235 0.80 LMNA (0.46) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL1891585 0.66 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2MEN1MAPTTP53
SCHEMBL12125178 0.66 KMT2A (0.69) KLK7KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL26503455 0.65 ANPEP (0.62) KLK7KMT2ASMN1; SMN2L3MBTL1ALDH1A1
Benzene SCHEMBL7286330 0.63 L3MBTL1 (0.58) KLK7KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2608943 0.63 HTT (0.70) KLK7KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL147291 0.61 HTT (0.73) KLK7KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL31185236 0.61 HTT (0.68) KLK7KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5546903 0.61 PDK1 (0.71) KMT2ASMN1; SMN2L3MBTL1MEN1MAPT

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