SCHEMBL4744197

SCHEMBL4744197

O=c1nc2n(-c3ccc(N4CCCCC4)cc3)c3cc(Cl)ccc3nc-2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 4/20 0.48
GSR P00390 5/20 0.45
MAT2A P31153 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MDM2 Q00987 2/20 0.40
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
NGF P01138 1/20 0.39
NTRK1 P04629 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL4747662 0.90 HRH4 (0.47) TDP2GSRMAT2AMEN1NGF
SCHEMBL4747145 0.84 GSR (0.55) TDP2GSRTP53MDM2MEN1
SCHEMBL4747762 0.82 TDP2 (0.49) TDP2GSRTP53MDM2ALOX5
SCHEMBL4748228 0.82 TDP2 (0.49) TDP2GSRMEN1NGFNTRK1
SCHEMBL4748217 0.77 TDP2 (0.62) TDP2GSRTP53HPGDMEN1
SCHEMBL4748253 0.75 GSR (0.48) GSRHPGDALOX5
SCHEMBL1050380 0.74 TMEM97 (0.47) TDP2HPGDMEN1MAPTRECQL
SCHEMBL9635797 0.69 GSR (0.70) TDP2GSRTP53MEN1RECQL
SCHEMBL4747565 0.69 GSR (0.48) GSRMAT2AHPGD
SCHEMBL4747745 0.66 MEN1 (0.48) TDP2GSRTP53HPGDMEN1

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-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed