SCHEMBL4084597

SCHEMBL4084597

CCN(CC)CCN1C(=O)c2cc(OC)c(OC)cc2C1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
CASP1 P29466 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
MAOB P27338 1/20 0.39
ALOX12 P18054 1/20 0.39
TSHR P16473 2/20 0.37
PDE4B Q07343 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 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
SCHEMBL3978816 0.72 POLB (0.45) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL4087810 0.71 TSHR (0.42) ALDH1A1KDM4EHPGDTSHRPDE4B
SCHEMBL3971360 0.64 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDRAB9AHTT
SCHEMBL11644099 0.63 HTT (0.46) HTT
SCHEMBL11635586 0.61 ALOX15 (0.51) ALDH1A1KDM4ERAB9APOLBTSHR
Ubisindine SCHEMBL191543 0.60 TSHR (0.62) ALDH1A1KDM4EHPGDRAB9AHTT
SCHEMBL11470635 0.60 MAOA (0.56) MAOB
SCHEMBL25019712 0.59 MEN1 (0.52) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL10481175 0.59 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDRAB9APOLB
SCHEMBL11385117 0.58 HTR2A (0.51) ALDH1A1KDM4EL3MBTL1

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