SCHEMBL3972707

SCHEMBL3972707

NC(=O)C1COCC(N)C1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.31
MEN1 O00255 1/20 0.31
GRIN2D O15399 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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 SCHEMBL3973493 0.98 BLM (0.30) BLMMEN1GRIN2DLMNACYP3A4
SCHEMBL3969491 0.76 CYP1A2 (0.34) HIF1A
SCHEMBL3970057 0.73 CYP3A4 (0.32) CYP3A4TSHR
Hydrochloric Acid SCHEMBL3971562 0.71 CYP3A4 (0.31) CYP3A4TSHR
SCHEMBL3965857 0.70 SIRT2 (0.32) CYP3A4TSHR
Hydrochloric Acid SCHEMBL3971166 0.68 SIRT2 (0.31)
SCHEMBL3969577 0.68 SENP8 (0.30)
Hydrochloric Acid SCHEMBL3970853 0.67
SCHEMBL4078350 0.66 EPHX1 (0.32) KMT2A
SCHEMBL28645452 0.63

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-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed