SCHEMBL4291499

SCHEMBL4291499

NC1(N)CC(=O)NC(=O)N1C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 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
SCHEMBL5685558 0.98 ALDH1A1 (0.33) KDM4EALDH1A1MAPTPKM
SCHEMBL5597442 0.64 CRBN (0.41) KDM4E
SCHEMBL10761357 0.63 MAPT (0.44) KDM4EALDH1A1MAPTPKM
SCHEMBL25974508 0.63 MAPT (0.44) KDM4EALDH1A1MAPTPKM
SCHEMBL19370610 0.63 OPRM1 (0.40) KDM4EALDH1A1MAPTPKM
SCHEMBL31436228 0.63 MAPT (0.44) KDM4EALDH1A1MAPTPKM
SCHEMBL6236013 0.63 OPRM1 (0.46) KDM4EALDH1A1MAPTPKM
SCHEMBL5004525 0.61 MEN1 (0.38) MAPT
SCHEMBL6235625 0.61 OPRM1 (0.49) KDM4EALDH1A1MAPTPKM
SCHEMBL22904415 0.60 OPRM1 (0.39) KDM4EALDH1A1

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