SCHEMBL8732186

SCHEMBL8732186

CCn1cc(C(=O)OCCN2CCOCC2)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR4 Q13639 1/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PIK3CG P48736 1/20 0.34
TOP1 P11387 2/20 0.34

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
SCHEMBL8880495 0.93 HTR4 (0.40) KDM4EALDH1A1HPGDHSD17B10HTR4
SCHEMBL8877142 0.91 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10HTR4
SCHEMBL8877789 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8736445 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8878166 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10HTR4
SCHEMBL8735573 0.77 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10SLC6A3
SCHEMBL8876328 0.76 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8879095 0.75 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8735859 0.73 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8736440 0.71 PIK3CG (0.45) KDM4EALDH1A1HPGDHSD17B10KCNH2

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
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
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP disclosed