SCHEMBL4084538

SCHEMBL4084538

COc1cc2c(c(Br)c1OC)CN(C(C)N1CCOCC1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ACHE P22303 2/20 0.37
TSHR P16473 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
P4HB P07237 1/20 0.35
SMAD3 P84022 1/20 0.35
KDM1A O60341 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4260662 0.81 PTPN1 (0.35) KMT2AALDH1A1
SCHEMBL3979067 0.79 PTPN1 (0.34) ALDH1A1
SCHEMBL4084541 0.76 SYK (0.45) MAPTTSHRHTTALDH1A1
SCHEMBL4081651 0.73 LMNA (0.46) TSHRHTTALDH1A1
SCHEMBL3972529 0.72 MEN1 (0.45) POLBKMT2A
SCHEMBL3974146 0.70 CYP3A4 (0.37) ACHEKMT2AHTTALDH1A1
SCHEMBL28764389 0.70 POLB (0.41) POLBKMT2AALDH1A1
SCHEMBL3972272 0.69 CA1 (0.38) ACHEALDH1A1
SCHEMBL3973213 0.68 HTR2A (0.42) TSHRPOLBKMT2A
SCHEMBL3974894 0.68 HTR2A (0.44) ACHETSHRPOLBKMT2A

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