SCHEMBL8880495

SCHEMBL8880495

CCn1cc(C(=O)OCCN2CCCCC2)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.40
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
PMP22 Q01453 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
TOP1 P11387 2/20 0.35
PIK3CG P48736 1/20 0.35
DRD3 P35462 1/20 0.34
LMNA P02545 1/20 0.34
CASP1 P29466 1/20 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
SCHEMBL8732186 0.93 KDM4E (0.45) HTR4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8877142 0.92 KDM4E (0.39) HTR4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8877789 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8736445 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8735573 0.77 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8876328 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8879095 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL8735859 0.73 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8878166 0.72 ALDH1A1 (0.50) HTR4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8736440 0.71 PIK3CG (0.45) KDM4EALDH1A1HPGDHSD17B10MEN1

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
US-5688791-A COMPOUNDS FOR TREATMENNT OF VIRAL DISEASES SUCH AS AIDS UBE INDUSTRIES, LTD. (JP) 1997-11-18 US disclosed
US-5674906-A ANTICARCINOGENIC AGENTS OF LOW TOXICITY AJINOMOTO CO., INC. (JP) 1997-10-07 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