SCHEMBL8046825

SCHEMBL8046825

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccc4OC)CC3)c(C(F)(F)F)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 6/20 0.49
HPGD P15428 6/20 0.49
HSD17B10 Q99714 5/20 0.49
DRD3 P35462 1/20 0.49
HTT P42858 4/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PMP22 Q01453 1/20 0.48
PIK3CG P48736 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL8061917 0.93 KDM4E (0.58) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL312466 0.91 KDM4E (0.59) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8058568 0.90 KDM4E (0.52) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8057309 0.90 KDM4E (0.46) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8064182 0.87 KDM4E (0.45) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8058565 0.87 KDM4E (0.52) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8735561 0.86 KDM4E (0.52) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8057316 0.85 PIK3CD (0.49) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL8057426 0.84 KDM4E (0.51) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL10401508 0.84 KDM4E (0.68) KDM4EPOLBALDH1A1HPGDHSD17B10

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