SCHEMBL8561900

SCHEMBL8561900

C=CCn1c(=O)c(C#N)cn(-c2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
ALDH1A1 P00352 12/20 0.49
HPGD P15428 8/20 0.49
GAA P10253 5/20 0.49
GLA P06280 2/20 0.49
RCE1 Q9Y256 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 2/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
ESR1 P03372 1/20 0.44
S1PR1 P21453 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL8418876 0.74 KDM4E (0.42) KDM4EL3MBTL1ALDH1A1GAAGLA
SCHEMBL7562618 0.69 KDM4E (0.46) KDM4EL3MBTL1ALDH1A1HPGDGAA
SCHEMBL11666619 0.68 KDM4E (0.61) KDM4EL3MBTL1ALDH1A1HPGDGAA
SCHEMBL11272953 0.68 KDM4E (0.37) KDM4EL3MBTL1ALDH1A1GAAGLA
SCHEMBL29142977 0.67 KDM4E (0.48) KDM4EL3MBTL1ALDH1A1HPGDGAA
SCHEMBL13774950 0.66 CYP3A4 (0.54) KDM4EL3MBTL1ALDH1A1CYP3A4MAPT
SCHEMBL5049130 0.66 CYP3A4 (0.59) KDM4EL3MBTL1ALDH1A1CYP3A4MAPT
SCHEMBL11270436 0.66 KDM4E (0.38) KDM4EL3MBTL1ALDH1A1GAAGLA
SCHEMBL10059379 0.63 ATM (0.43) KDM4EL3MBTL1ALDH1A1HPGDGAA
SCHEMBL11248370 0.63 L3MBTL1 (0.67) KDM4EL3MBTL1ALDH1A1HPGDGAA

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
EP-0942905-A1 3-AMINO-1-CYANOPHENYL-URACILS BAYER AG (DE) 1999-09-22 EP disclosed
WO-1998025909-A1 3-AMINO-1-CYANOPHENYL-URACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed