SCHEMBL6674728

SCHEMBL6674728

CCNC(=NC(=O)OC(C)(C)C)Nc1ccc(CCN)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK14 Q16539 5/20 0.35
CYP17A1 P05093 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
KIF11 P52732 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
Hydrochloric Acid SCHEMBL7242320 0.99 MEN1 (0.36) MEN1KMT2AATMPOLBCTDSP1
SCHEMBL7248121 0.89 MEN1 (0.41) MEN1KMT2AATMCYP17A1
SCHEMBL6676182 0.79 CYP17A1 (0.39) MEN1KMT2AATMPOLBCTDSP1
Hydrochloric Acid SCHEMBL7242318 0.78 CYP17A1 (0.38) MEN1KMT2AATMPOLBCTDSP1
Hydrochloric Acid SCHEMBL6675309 0.78 CYP17A1 (0.38) MEN1KMT2AATMPOLBCTDSP1
SCHEMBL6676262 0.77 PTGER4 (0.41) MEN1KMT2APOLBTDP1
SCHEMBL6675282 0.76 NAMPT (0.40) MEN1KMT2ATDP1
SCHEMBL6681999 0.76 MAPT (0.45) MEN1KMT2AATMPOLB
Hydrochloric Acid SCHEMBL6675307 0.72 ACHE (0.35) MEN1KMT2AATMMAPK14PDK1
SCHEMBL6674730 0.71 ACHE (0.34) ATM

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed