SCHEMBL4077869

SCHEMBL4077869

NC(=O)CC1CCCNC(=S)N1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CYP2D6 P10635 1/20 0.30
GLI1 P08151 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
SCHEMBL4073276 0.81 L3MBTL1 (0.33) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL4152747 0.72
SCHEMBL3830497 0.72
SCHEMBL31436261 0.72
Hydrochloric Acid SCHEMBL5709800 0.71 FDPS (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL24531742 0.67 FDPS (0.50) MAPTKMT2ACYP2D6
SCHEMBL19820361 0.67 FDPS (0.50) MAPTKMT2ACYP2D6
SCHEMBL3086112 0.67 FDPS (0.50) MAPTKMT2ACYP2D6
Hydrochloric Acid SCHEMBL29642935 0.66 FDPS (0.49) MAPTKMT2ACYP2D6
Hydrochloric Acid SCHEMBL5709804 0.66 FDPS (0.49) MAPTKMT2ACYP2D6

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