SCHEMBL8880183

SCHEMBL8880183

COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.57
KDM4E B2RXH2 9/20 0.57
HPGD P15428 4/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HSD17B10 Q99714 2/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
OPRM1 P35372 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
GSK3B P49841 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.48

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
Hydrochloric Acid SCHEMBL8732413 0.99 KCNH2 (0.56) KCNH2KDM4EHPGDALDH1A1POLB
SCHEMBL8878202 0.89 KDM4E (0.44) KCNH2KDM4EHPGDALDH1A1POLB
SCHEMBL8879744 0.88 KCNH2 (0.56) KCNH2KDM4EHPGDALDH1A1POLB
SCHEMBL8735561 0.86 KDM4E (0.52) KDM4EHPGDALDH1A1POLBTDP1
SCHEMBL27525623 0.86 KCNH2 (0.57) KCNH2KDM4EHPGDALDH1A1POLB
SCHEMBL8879184 0.85 KCNH2 (0.59) KCNH2KDM4EHPGDALDH1A1POLB
SCHEMBL8058565 0.85 KDM4E (0.52) KCNH2KDM4EHPGDALDH1A1POLB
SCHEMBL8878712 0.83 KCNH2 (0.55) KCNH2KDM4EHPGDALDH1A1POLB
SCHEMBL8878155 0.82 KDM4E (0.47) KCNH2KDM4EHPGDALDH1A1POLB
SCHEMBL7810777 0.82 KDM4E (0.64) KCNH2KDM4EHPGDALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519016-A Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent UBE INDUSTRIES, LTD. (JP) 1996-05-21 US claimed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP claimed
CN-1214632-A Remedies or preventives for AIDS SANKYO CO (JP) 1999-04-21 CN disclosed
US-5688791-A COMPOUNDS FOR TREATMENNT OF VIRAL DISEASES SUCH AS AIDS UBE INDUSTRIES, LTD. (JP) 1997-11-18 US disclosed
US-5519016-A Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent UBE INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP disclosed