SCHEMBL4084541

SCHEMBL4084541

COc1cc2c(c(Br)c1OC)CN(CCN1CCOCC1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
KDR P35968 1/20 0.40
GSK3B P49841 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL4081651 0.94 LMNA (0.46) SYKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3973213 0.91 HTR2A (0.42) KDM4ELMNAMAPK1SMN1; SMN2TSHR
SCHEMBL3974894 0.89 HTR2A (0.44) LMNAMAPK1SMN1; SMN2TSHRKDR
SCHEMBL3973494 0.82 IDH1 (0.39) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL3972272 0.80 CA1 (0.38) ALDH1A1GAA
SCHEMBL3973824 0.80 HTR2A (0.36) ALDH1A1SMN1; SMN2KDRGSK3B
SCHEMBL3971360 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHTTKDR
SCHEMBL3979633 0.77 POLB (0.43) KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL3973411 0.77 CNR2 (0.45) ALDH1A1HSD17B10MAPT
SCHEMBL4084538 0.76 MAPT (0.40) ALDH1A1MAPTHTTTSHR

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