SCHEMBL16380654

SCHEMBL16380654

CN1CCN(c2ccc(C(N)=O)cc2C(F)(F)F)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HSD17B10 Q99714 1/20 0.66
HSD11B1 P28845 4/20 0.50
CYP3A4 P08684 1/20 0.48
SLC9A1 P19634 1/20 0.48
CYP2C19 P33261 1/20 0.48
ASIC3 Q9UHC3 1/20 0.47
AURKA O14965 1/20 0.47
PDPK1 O15530 1/20 0.47
RPS6KB1 P23443 1/20 0.47
AURKB Q96GD4 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TTR P02766 1/20 0.45
EML4 Q9HC35 1/20 0.45
ALK Q9UM73 1/20 0.45

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
SCHEMBL3533360 0.87 TTR (0.59) KDM4EALDH1A1HSD17B10ASIC3PDE3B
SCHEMBL1397423 0.87 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10HSD11B1CYP3A4
SCHEMBL1397495 0.86 SLC9A1 (0.52) KDM4EALDH1A1HSD17B10HSD11B1CYP3A4
SCHEMBL31003567 0.86 KDM4E (0.48) KDM4EALDH1A1HSD17B10CYP3A4SLC9A1
Hydrochloric Acid SCHEMBL4285100 0.86 TTR (0.57) KDM4EALDH1A1HSD17B10ASIC3PDE3B
SCHEMBL16380652 0.85 CHRM1 (0.48) KDM4EALDH1A1HSD17B10HSD11B1CYP3A4
SCHEMBL3309679 0.85 KDM4E (0.47) KDM4EALDH1A1HSD17B10HSD11B1CYP3A4
SCHEMBL8261930 0.85 CTPS1 (0.62) KDM4EALDH1A1HSD17B10HSD11B1SLC9A1
SCHEMBL3309681 0.85 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10HSD11B1CYP3A4
SCHEMBL4278043 0.84 WDR5 (0.52) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed