SCHEMBL8736445

SCHEMBL8736445

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
PMP22 Q01453 1/20 0.49
PIK3CG P48736 1/20 0.46
DRD3 P35462 1/20 0.46
TOP1 P11387 5/20 0.44
LMNA P02545 4/20 0.44
CYP2C9 P11712 1/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44
EDNRA P25101 1/20 0.44
TARBP2 Q15633 1/20 0.44
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
BRD4 O60885 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL8877789 0.91 KDM4E (0.47) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8876328 0.90 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8879095 0.88 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDTOP1
SCHEMBL8880495 0.85 HTR4 (0.40) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8736440 0.85 PIK3CG (0.45) KDM4EHSD17B10ALDH1A1HPGDPIK3CG
SCHEMBL8732186 0.84 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8735573 0.84 KDM4E (0.36) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8878712 0.84 KCNH2 (0.55) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8735561 0.84 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL27348555 0.84 PIK3CD (0.47) KDM4EHSD17B10ALDH1A1HPGDPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1042936-C Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-hiv agent UBE INDUSTRIES (JP) 1999-04-14 CN claimed
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
CN-1086515-A Aminoquinolone derivative and anti-hiv agent that aryl or fragrant heterocyclic radical replace UBE INDUSTRIES (JP) 1994-05-11 CN claimed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP claimed
CN-1042936-C Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-hiv agent UBE INDUSTRIES (JP) 1999-04-14 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