SCHEMBL8046660

SCHEMBL8046660

Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)c(C(F)(F)F)c21

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 4/20 0.44
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.43
ALB P02768 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
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
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 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
SCHEMBL8057434 0.90 KDM4E (0.50) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8059277 0.90 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL8061798 0.89 KDM4E (0.44) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8064088 0.89 KDM4E (0.58) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8733998 0.88 KDM4E (0.46) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8058583 0.87 KDM4E (0.48) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8061575 0.87 TOP2A (0.50) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL8046793 0.87 HPGD (0.52) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8059195 0.84 KDM4E (0.48) KDM4EADRA2BMAPK1HPGDHSD17B10
SCHEMBL8046835 0.82 KDM4E (0.45) KDM4EADRA2BMAPK1HPGDHSD17B10

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

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