SCHEMBL3982744

SCHEMBL3982744

O=C(O)COc1cccc2cnc(Cc3ccc(Cl)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
PTGDR2 Q9Y5Y4 8/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE10A Q9Y233 1/20 0.42
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3985579 0.88 LMNA (0.44) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL3983651 0.81 PTGDR2 (0.43) TDP1PTGDR2TSHRMAPT
SCHEMBL3984193 0.81 MAPT (0.50) TDP1KDM4EALDH1A1HPGDLMNA
SCHEMBL3984415 0.77 HTR2C (0.43) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL3980996 0.70 PTGDR2 (0.39) TDP1KDM4EALDH1A1PTGDR2LMNA
SCHEMBL28128957 0.70 KDM4E (0.51) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL3988279 0.69 TDP1 (0.47) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL3778473 0.69 PTGDR2 (0.45) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL7691378 0.68 PTGDR2 (0.55) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL45506 0.68 MAPT (0.68) TDP1KDM4EALDH1A1HPGDPTGDR2

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