SCHEMBL8735561

SCHEMBL8735561

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccc4OC)CC3)c(OC(F)F)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
POLB P06746 2/20 0.51
TOP1 P11387 6/20 0.48
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PMP22 Q01453 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL8878155 0.89 KDM4E (0.47) KDM4EPOLBTOP1HSD17B10ALDH1A1
SCHEMBL8878202 0.89 KDM4E (0.44) KDM4EPOLBTOP1HSD17B10ALDH1A1
SCHEMBL312466 0.89 KDM4E (0.59) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL8880183 0.86 KCNH2 (0.57) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL8046825 0.86 KDM4E (0.54) KDM4EPOLBHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8732413 0.86 KCNH2 (0.56) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL27348555 0.85 PIK3CD (0.47) KDM4EPOLBTOP1HSD17B10ALDH1A1
SCHEMBL8736445 0.84 KDM4E (0.50) KDM4ETOP1HSD17B10ALDH1A1HPGD
SCHEMBL8734012 0.81 KDM4E (0.44) KDM4EPOLBTOP1HSD17B10ALDH1A1
SCHEMBL8061917 0.80 KDM4E (0.58) KDM4EPOLBTOP1HSD17B10ALDH1A1

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 8 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
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP 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
CN-1086515-A Aminoquinolone derivative and anti-hiv agent that aryl or fragrant heterocyclic radical replace UBE INDUSTRIES (JP) 1994-05-11 CN disclosed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP disclosed