SCHEMBL4786063

SCHEMBL4786063

COC(=O)C1=Nc2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
KDM4E B2RXH2 5/20 0.51
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSP90AA1 P07900 2/20 0.44
HIF1A Q16665 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.44
FGFR1 P11362 3/20 0.44
FGFR2 P21802 3/20 0.44
FGFR4 P22455 3/20 0.44
FGFR3 P22607 3/20 0.44
HPGD P15428 3/20 0.44
ALOX12 P18054 2/20 0.44
SRC P12931 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44

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
SCHEMBL4738113 0.82 MAPT (0.66) MAPTKDM4ELMNASMN1; SMN2HSP90AA1
SCHEMBL27848261 0.78 MAPT (0.46) MAPTKDM4ELMNASMN1; SMN2HSP90AA1
SCHEMBL30608708 0.67 MEN1 (0.46) MAPTKDM4ELMNASMN1; SMN2HSP90AA1
Isatin SCHEMBL31087266 0.67 MEN1 (0.59) MAPTKDM4ELMNASMN1; SMN2HSP90AA1
Isatin SCHEMBL28614049 0.67 MEN1 (0.59) MAPTKDM4ELMNASMN1; SMN2HSP90AA1
SCHEMBL28363963 0.67 MEN1 (0.46) MAPTKDM4ELMNASMN1; SMN2HSP90AA1
SCHEMBL28429954 0.67 CCNB2 (0.56) MAPTKDM4ELMNASMN1; SMN2HSP90AA1
SCHEMBL11287583 0.67 MEN1 (0.42) MAPTKDM4ELMNASMN1; SMN2HSP90AA1
SCHEMBL8086896 0.67 TSHR (0.42) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL21316073 0.66 MEN1 (0.63) MAPTKDM4ELMNASMN1; SMN2HSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183729-A1 TREATMENT OF INFECTIOUS DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-10-03 WO disclosed
EP-1330454-A4 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2008-03-19 EP disclosed
EP-1330454-A1 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2003-07-30 EP disclosed
WO-2002030925-A1 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2002-04-18 WO disclosed