SCHEMBL4073276

SCHEMBL4073276

NC(=O)CC1CCCNC(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
GLI1 P08151 1/20 0.31
KLK5 Q9Y337 1/20 0.31
PARP1 P09874 1/20 0.30
CAD P27708 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
SCHEMBL4077869 0.81 KDM4E (0.30) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL4152747 0.74
SCHEMBL31436261 0.74
SCHEMBL3830497 0.74
Hydrochloric Acid SCHEMBL5709800 0.72 FDPS (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL24531742 0.68 FDPS (0.50) MAPTKMT2ACYP2D6
SCHEMBL19820361 0.68 FDPS (0.50) MAPTKMT2ACYP2D6
SCHEMBL3086112 0.68 FDPS (0.50) MAPTKMT2ACYP2D6
Hydrochloric Acid SCHEMBL29642935 0.67 FDPS (0.49) MAPTKMT2ACYP2D6
SCHEMBL5852589 0.67 CAD (0.41) L3MBTL1KMT2ACYP2D6GLI1CAD

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