SCHEMBL8313563

SCHEMBL8313563

Fc1cccc(F)c1-c1nc2c(s1)NCCCC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
ILK Q13418 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIM1 P11309 3/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TYK2 P29597 2/20 0.31
JAK2 O60674 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL8315806 0.86 NISCH (0.39) TP53MAPTGRM5KDM4ETSHR
SCHEMBL8312319 0.78 NPC1 (0.37) MEN1KMT2AKDM4ETSHR
Hydrochloric Acid SCHEMBL8315904 0.78 ACHE (0.39) ACHEILKKDM4EHSD17B10TSHR
SCHEMBL8317721 0.77 KMT2A (0.38) ACHETP53MAPTMEN1KMT2A
SCHEMBL8316989 0.75 PTGDR2 (0.38) ACHEKMT2AKDM4ETSHR
SCHEMBL8310827 0.75 PIK3CD (0.40) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL8315781 0.74 KDM4E (0.41) TP53MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8314659 0.73 BCHE (0.30)
SCHEMBL8314142 0.73 NISCH (0.42) MAPTKDM4EHTTTSHR
Hydrochloric Acid SCHEMBL8313952 0.73 KDM4E (0.44) TP53MAPTKMT2AKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed