SCHEMBL8614022

SCHEMBL8614022

COc1cccc2cc(C(N)=O)cnc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.71
PSMD14 O00487 4/20 0.61
STAMBP O95630 3/20 0.61
COPS5 Q92905 2/20 0.61
PARP1 P09874 5/20 0.49
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NNMT P40261 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2671823 0.87 HPGDS (0.72) HPGDSPSMD14STAMBPCOPS5KMT2A
SCHEMBL4145910 0.86 HPGDS (0.67) HPGDSPSMD14STAMBPCOPS5PARP1
Hydrochloric Acid SCHEMBL6086439 0.85 HPGDS (0.71) HPGDSPSMD14STAMBPCOPS5KMT2A
SCHEMBL2200731 0.85 HPGDS (0.75) HPGDSPSMD14STAMBPCOPS5KMT2A
SCHEMBL4410083 0.83 HPGDS (0.67) HPGDSPSMD14STAMBPCOPS5KMT2A
SCHEMBL4721861 0.81 HPGDS (0.64) HPGDSPSMD14KMT2AMEN1
SCHEMBL30537997 0.80 PSMD14 (0.66) HPGDSPSMD14STAMBPCOPS5PARP1
SCHEMBL17629674 0.80 PSMD14 (0.66) HPGDSPSMD14STAMBPCOPS5PARP1
SCHEMBL30211275 0.79 MAPT (0.53) HPGDSPARP1KMT2AALDH1A1KDM4E
SCHEMBL18987846 0.79 HPGDS (0.62) HPGDSPSMD14STAMBPCOPS5KMT2A

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
US-5824689-A 3,8-DIHYROXYQUINOLINE AND DERIVATIVES, ANTICANCER AGENT, PREPARATION FROM 8-ALKOXYQUINOLINE-3-CARBOXAMIDE, HOFFMAN REARRANGEMENT, DIAZOTIZATION SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 1998-10-20 US claimed
US-5824689-A 3,8-DIHYROXYQUINOLINE AND DERIVATIVES, ANTICANCER AGENT, PREPARATION FROM 8-ALKOXYQUINOLINE-3-CARBOXAMIDE, HOFFMAN REARRANGEMENT, DIAZOTIZATION SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 1998-10-20 US disclosed