SCHEMBL4087810

SCHEMBL4087810

COc1cc2c(cc1OC)C(Br)N(Cc1ccncc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.40
PDE4D Q08499 5/20 0.40
PDE4B Q07343 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
MAPT P10636 2/20 0.39
CA9 Q16790 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ENPP2 Q13822 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HKDC1 Q2TB90 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 0.71 ALDH1A1 (0.47) TSHRPDE4BHPGDALDH1A1HSD17B10
SCHEMBL7983584 0.68 PDE4D (0.47) PDE4DPDE4AALDH1A1KDM4EGAA
SCHEMBL31370999 0.68 KDM4E (0.53) MAPTKDM4EGAAKMT2AHKDC1
SCHEMBL3978816 0.66 POLB (0.45) TSHRMAPTHPGDALDH1A1HSD17B10
SCHEMBL3980428 0.65 GAA (0.40) USP2LMNAPDE4DPDE4BPDE4A
SCHEMBL28756255 0.65 MAPT (0.46) LMNAMAPTALDH1A1HSD17B10KDM4E
SCHEMBL22953395 0.65 ACHE (0.45) PDE4DMAPTKDM4E
SCHEMBL16915008 0.64 HCRTR1 (0.42) TSHRUSP2PDE4DPDE4BPDE4A
SCHEMBL11635586 0.62 ALOX15 (0.51) TSHRLMNAMAPTNPSR1ALDH1A1
SCHEMBL1114939 0.62 PDE4D (0.81) PDE4D

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