SCHEMBL3984015

SCHEMBL3984015

Oc1ccc(Cl)c2cc(C3CC3)c(Cc3ccc(Cl)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.37
ERCC4 Q92889 3/20 0.37
ALOX15 P16050 4/20 0.35
IGF1R P08069 2/20 0.35
PTGES O14684 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL3983824 0.82 LMNA (0.38) ALOX15MAPTMEN1KMT2ACYP1A2
SCHEMBL3989062 0.80 PTGDR2 (0.49) MAPTTSHRTDP1
SCHEMBL3981440 0.78 MEN1 (0.38) ERCC1ERCC4ALOX15PTGESMAPT
SCHEMBL3985878 0.77 PTGDR (0.51) PTGESMAPTKMT2ACNR1KDM4E
SCHEMBL3989921 0.69 LMNA (0.41) ALOX15MAPTMEN1KMT2ACYP1A2
SCHEMBL12611071 0.62 HSD17B10 (0.48) ALOX15MAPTMEN1KMT2AHSD17B10
SCHEMBL3984323 0.61 LMNA (0.43) ALOX15MAPTMEN1KMT2ACYP1A2
SCHEMBL4395732 0.60 MAPT (0.49) ALOX15MAPTMEN1KMT2ACASP1
SCHEMBL3983803 0.60 HTR2C (0.41) ERCC1ERCC4ALOX15IGF1RMAPT
SCHEMBL24715777 0.59 KDM4E (0.44) ALOX15MAPTMEN1KMT2ACYP1A2

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-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed