SCHEMBL3978816

SCHEMBL3978816

COc1cc2c(cc1OC)C(Br)N(CCCN1CCCC1=O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PGK1 P00558 1/20 0.44
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.39
HTR1A P08908 2/20 0.38
DRD3 P35462 2/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
HCN4 Q9Y3Q4 1/20 0.38
DRD4 P21917 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 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
SCHEMBL4084597 0.72 ALDH1A1 (0.47) POLBALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL3979633 0.71 POLB (0.43) POLBPGK1ALDH1A1L3MBTL1KMT2A
SCHEMBL12856209 0.67 POLB (0.50) POLBPGK1ALDH1A1L3MBTL1KMT2A
SCHEMBL5424673 0.67 PIK3CD (0.54) POLBKMT2ACHRM2MEN1TSHR
SCHEMBL4087810 0.66 TSHR (0.42) ALDH1A1KMT2AMAPTKDM4EHSD17B10
SCHEMBL19133223 0.65 APOBEC3A (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL23310509 0.64 KMT2A (0.58) POLBALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL10481722 0.64 PIK3CD (0.50) POLBKMT2ACHRM2MEN1TSHR
SCHEMBL4581970 0.63 L3MBTL1 (0.48) POLBPGK1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL2798224 0.63 SMN1; SMN2 (0.49) POLBPGK1ALDH1A1L3MBTL1KMT2A

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