SCHEMBL14679337

SCHEMBL14679337

C#CC(=O)NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
PTK2B Q14289 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.32
ALOX12 P18054 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5690876 0.74 CYP1A2 (0.48) CYP1A2PKMPTK2BL3MBTL1ALDH1A1
SCHEMBL30590684 0.70
SCHEMBL26112743 0.70 TDP1 (0.40)
SCHEMBL12572603 0.69 CYP1A2 (0.44) CYP1A2PKMPTK2BL3MBTL1ALDH1A1
SCHEMBL17147382 0.69
SCHEMBL3483750 0.69
SCHEMBL1138743 0.67 EPHX1 (0.44) CYP1A2PKMPTK2BL3MBTL1ALDH1A1
SCHEMBL22454078 0.67 CYP1A2 (0.43) CYP1A2PKMPTK2BL3MBTL1ALDH1A1
SCHEMBL3648521 0.65 CRBN (0.48) CYP1A2PKMPTK2BL3MBTL1ALDH1A1
SCHEMBL31066656 0.65 CYP1A2 (0.41) CYP1A2PKMPTK2BL3MBTL1ALDH1A1

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
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed