SCHEMBL8877142

SCHEMBL8877142

CCn1cc(C(=O)OCCN2CCC(C)CC2)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
HPGD P15428 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HTR4 Q13639 1/20 0.39
PMP22 Q01453 1/20 0.38
TOP1 P11387 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 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
SCHEMBL8880495 0.92 HTR4 (0.40) KDM4EHPGDALDH1A1HSD17B10HTR4
SCHEMBL8732186 0.91 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10HTR4
SCHEMBL8877789 0.87 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8736445 0.83 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8876328 0.78 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8970482 0.77 MEN1 (0.35) KDM4EHSD17B10
SCHEMBL8735573 0.76 KDM4E (0.36) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8879095 0.74 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10TOP1
SCHEMBL8735859 0.73 KDM4E (0.33) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8878712 0.72 KCNH2 (0.55) KDM4EHPGDALDH1A1HSD17B10LMNA

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

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