SCHEMBL3979633

SCHEMBL3979633

COc1cc2c(c(Br)c1OC)CN(CCCN1CCCC1=O)C2=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PGK1 P00558 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL3973213 0.81 HTR2A (0.42) POLBKMT2ADRD3DRD2SMN1; SMN2
SCHEMBL4081651 0.81 LMNA (0.46) ALDH1A1DRD3DRD2KDM4EHSD17B10
SCHEMBL3974894 0.81 HTR2A (0.44) POLBKMT2ADRD3DRD2SMN1; SMN2
SCHEMBL3973796 0.80 HSD17B10 (0.46) SMN1; SMN2MAPTHSD17B10
SCHEMBL3973494 0.80 IDH1 (0.39) POLBALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3972272 0.78 CA1 (0.38) ALDH1A1
SCHEMBL3973824 0.78 HTR2A (0.36) ALDH1A1DRD2SMN1; SMN2
SCHEMBL4084541 0.77 SYK (0.45) ALDH1A1SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL3974167 0.77 BCHE (0.39) DRD3DRD2
SCHEMBL438402 0.77 HDAC1 (0.42) ALDH1A1KDM4E

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-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO disclosed