SCHEMBL8064088

SCHEMBL8064088

O=C(O)c1cn(CCF)c2c(C(F)(F)F)c(N3CCN(c4ccccn4)CC3)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.58
ALDH1A1 P00352 8/20 0.44
PIK3CG P48736 1/20 0.43
HPGD P15428 7/20 0.41
HSD17B10 Q99714 7/20 0.41
ADRA2B P18089 1/20 0.41
MAPK1 P28482 1/20 0.41
DRD3 P35462 1/20 0.41
PMP22 Q01453 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8059277 0.92 KDM4E (0.49) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8059291 0.90 KDM4E (0.62) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8046660 0.89 KDM4E (0.46) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8061798 0.86 KDM4E (0.44) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8733910 0.85 KDM4E (0.55) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8061575 0.85 TOP2A (0.50) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8057366 0.82 KDM4E (0.53) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8061917 0.82 KDM4E (0.58) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8058551 0.81 KDM4E (0.48) KDM4EALDH1A1PIK3CGHPGDHSD17B10
SCHEMBL8057434 0.78 KDM4E (0.50) KDM4EALDH1A1PIK3CGHPGDHSD17B10

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
US-6034086-A VIRICIDES; AIDS THERAPY UBE INDUSTRIES, LTD. 2000-03-07 US disclosed
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed
CN-1152916-A Trifluoromethylquinoline carboxylic acid derivative UBE INDUSTRIES (JP) 1997-06-25 CN disclosed
EP-0773214-A1 TRIFLUOROMETHYLQUINOLINECARBOXYLIC ACID DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1997-05-14 EP disclosed