SCHEMBL8064182

SCHEMBL8064182

COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)C)c3c2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
POLB P06746 1/20 0.43
ADRA2B P18089 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KCNH2 Q12809 1/20 0.41
TOP2A P11388 4/20 0.40
TOP2B Q02880 3/20 0.40
TOP1 P11387 2/20 0.39
CNR1 P21554 1/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL8057309 0.89 KDM4E (0.46) KDM4EPOLBADRA2BMAPK1HPGD
SCHEMBL8061917 0.88 KDM4E (0.58) KDM4EPOLBADRA2BMAPK1HPGD
SCHEMBL8046825 0.87 KDM4E (0.54) KDM4EPOLBHPGDHSD17B10ALDH1A1
SCHEMBL8058565 0.86 KDM4E (0.52) KDM4EPOLBHPGDHSD17B10ALDH1A1
SCHEMBL8064229 0.83 KDM4E (0.48) KDM4EPOLBADRA2BMAPK1HPGD
SCHEMBL8061798 0.82 KDM4E (0.44) KDM4EPOLBADRA2BMAPK1HPGD
SCHEMBL312466 0.80 KDM4E (0.59) KDM4EPOLBHPGDHSD17B10ALDH1A1
SCHEMBL8878202 0.77 KDM4E (0.44) KDM4EPOLBADRA2BMAPK1HPGD
SCHEMBL8058568 0.77 KDM4E (0.52) KDM4EPOLBMAPK1HPGDHSD17B10
SCHEMBL8059195 0.77 KDM4E (0.48) KDM4EPOLBADRA2BMAPK1HPGD

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 5 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
CN-1214632-A Remedies or preventives for AIDS SANKYO CO (JP) 1999-04-21 CN 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