SCHEMBL8057409

SCHEMBL8057409

CSc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C)c3c2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ADRA2B P18089 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 5/20 0.43
TOP2A P11388 4/20 0.42
TOP1 P11387 2/20 0.42
ALB P02768 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
DRD3 P35462 1/20 0.42
TUBB4A P04350 1/20 0.42
POLB P06746 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42

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
SCHEMBL8059195 0.88 KDM4E (0.48) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8046793 0.86 HPGD (0.52) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8057309 0.86 KDM4E (0.46) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL27565253 0.84 KDM4E (0.46) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8046770 0.82 KDM4E (0.50) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8057434 0.82 KDM4E (0.50) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8057420 0.81 KDM4E (0.49) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8046660 0.81 KDM4E (0.46) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8058583 0.79 KDM4E (0.48) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8058568 0.79 KDM4E (0.52) KDM4EMAPK1HPGDHSD17B10ALDH1A1

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