SCHEMBL8735573

SCHEMBL8735573

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
RECQL P46063 1/20 0.36
AOC3 Q16853 1/20 0.36
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PMP22 Q01453 1/20 0.33
ABCC1 P33527 1/20 0.32
TOP1 P11387 1/20 0.32
PIK3CG P48736 1/20 0.32
KDM1A O60341 1/20 0.31
RET P07949 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL8736445 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8877789 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8735859 0.80 KDM4E (0.33) KDM4ERECQLALDH1A1HPGDHSD17B10
SCHEMBL8734006 0.80 STAT3 (0.37) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8880495 0.77 HTR4 (0.40) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8732186 0.77 KDM4E (0.45) KDM4ESLC6A3ALDH1A1HPGDHSD17B10
SCHEMBL8876328 0.76 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8877142 0.76 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8879095 0.74 KDM4E (0.48) KDM4ERECQLALDH1A1HPGDHSD17B10
SCHEMBL8733968 0.73 IKBKB (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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