SCHEMBL1740405

SCHEMBL1740405

OCc1cnc2c(c1)NC=CC1CCCN21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3783253 0.72 ALDH1A1 (0.67) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL14979273 0.72 KDM4E (0.48) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL710428 0.72 ALDH1A1 (0.67) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL710138 0.71 KDM4E (0.46) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL14979244 0.69 KDM4E (0.44) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL708661 0.69 ALDH1A1 (0.62) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL6125325 0.69 ALDH1A1 (0.62) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL710523 0.69 ALDH1A1 (0.62) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL710509 0.67 ALDH1A1 (0.56) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL13285283 0.61 ALDH1A1 (0.69) KDM4EMEN1ALDH1A1MAPTHPGD

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
EP-2389379-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-11-30 EP claimed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 WO claimed