SCHEMBL9409063

SCHEMBL9409063

COC(=O)c1cc(Nc2ccccc2C#N)c(Nc2ccccc2C#N)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL9409179 0.90 GAA (0.46) GAAKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9409100 0.83 MAPT (0.59) GAAKDM4EALDH1A1HSD17B10SIRT2
SCHEMBL9409083 0.82 MAPT (0.61) GAAKDM4EALDH1A1HSD17B10SIRT2
SCHEMBL9409337 0.81 CSF1R (0.49) KDM4EALDH1A1HSD17B10SIRT2SMN1; SMN2
SCHEMBL9409108 0.81 TSHR (0.51) GAAKDM4EALDH1A1HSD17B10SIRT2
SCHEMBL9409163 0.80 MAPT (0.50) KDM4EALDH1A1HSD17B10SIRT2SMN1; SMN2
SCHEMBL9409146 0.80 JAK2 (0.54) GAAKDM4EALDH1A1HSD17B10SIRT2
SCHEMBL9409047 0.80 MAPT (0.55) KDM4ESIRT2MAPTPOLBMEN1
SCHEMBL9409103 0.78 ALDH1A1 (0.50) GAAKDM4EALDH1A1HSD17B10SIRT2
SCHEMBL9409202 0.77 MAPT (0.64) GAAALDH1A1HSD17B10SIRT2MAPT

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
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed