SCHEMBL2013520

SCHEMBL2013520

COC(=O)c1cn2ccnc2cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRIM33 Q9UPN9 3/20 0.38
MAOB P27338 1/20 0.38
POLQ O75417 1/20 0.37
MAPT P10636 4/20 0.36
FASN P49327 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDR P35968 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NAMPT P43490 2/20 0.35
SYK P43405 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL19950938 0.84 GAA (0.43) TRIM33POLQKDM4EHSD17B10TSHR
SCHEMBL24770169 0.84 MAOB (0.42) TRIM33MAOBPOLQKDM4EALDH1A1
SCHEMBL22717449 0.84 KMT2A (0.38) TRIM33MAOBPOLQKDM4EALDH1A1
SCHEMBL6918010 0.83 GABRP (0.41) MAOBFASNKDM4EALDH1A1KDR
SCHEMBL1796361 0.82 MAOB (0.40) MAOBPOLQFASNNAMPTMCHR1
SCHEMBL24087313 0.81 NNMT (0.41) MAOBFASNSYK
SCHEMBL21491461 0.81 MAOB (0.42) TRIM33MAOBPOLQMAPTKDM4E
SCHEMBL339175 0.81 POLB (0.38) TRIM33MAOBPOLQKDM4EALDH1A1
SCHEMBL22842993 0.80 TDP1 (0.45) TRIM33POLQMAPTKDM4EALDH1A1
SCHEMBL22836678 0.79 LMNA (0.39) TRIM33MAOBPOLQNAMPTSYK

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
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed