SCHEMBL4285496

SCHEMBL4285496

CC(C)N1C(=O)NC(=O)CC1(N)N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.34
TOP2B Q02880 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 2/20 0.32
LMNA P02545 2/20 0.32
CRBN Q96SW2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5597442 0.71 CRBN (0.41) LMNACRBNKDM4ECYP2C19
SCHEMBL4284253 0.71 PTGS1 (0.37) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL4283528 0.64 DDB1 (0.46) ALDH1A1MAPTTDP1PTGS1CRBN
SCHEMBL5009430 0.63 PTGS1 (0.34) TOP2ATOP2BALDH1A1MAPTPTGS1
SCHEMBL23518791 0.61 KDM4E (0.33) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL4291499 0.60 KDM4E (0.31) ALDH1A1MAPTKDM4E
SCHEMBL378251 0.59 TOP2A (0.50) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL5685558 0.59 ALDH1A1 (0.33) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL12284503 0.58 TOP2A (0.33) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL19426510 0.58 LMNA (0.48) TOP2ATOP2BALDH1A1MAPTTDP1

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-2009157938-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER CV THERAPEUTICS, INC. (US) 2009-12-30 WO disclosed