SCHEMBL7986022

SCHEMBL7986022

N#Cc1ccc(C(N)=O)c(OCCCOc2ccc(CNC(=O)c3ccc(C(=N)N)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
EPHX2 P34913 1/20 0.45
AKR1B1 P15121 1/20 0.45
PPARA Q07869 1/20 0.45
TMPRSS2 O15393 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRSS1 P07477 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LOX P28300 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MAPK14 Q16539 1/20 0.41
TPSAB1 Q15661 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL7982578 0.83 TMPRSS2 (0.64) F10ITGB3ITGA2BTMPRSS2LMNA
SCHEMBL7419632 0.81 PRSS1 (0.64) F10ITGB3ITGA2BTMPRSS2LMNA
SCHEMBL7984857 0.81 EPHX2 (0.65) EPHX2AKR1B1PPARALMNASMN1; SMN2
SCHEMBL7986829 0.80 PRMT1 (0.65) F10ITGB3ITGA2BTMPRSS2LMNA
SCHEMBL7989663 0.80 PRMT1 (0.65) F10ITGB3ITGA2BTMPRSS2LMNA
SCHEMBL7427347 0.80 PRMT1 (0.65) F10ITGB3ITGA2BTMPRSS2LMNA
SCHEMBL7986010 0.80 PRSS1 (0.63) F10ITGB3ITGA2BEPHX2TMPRSS2
SCHEMBL7972474 0.79 TMPRSS2 (0.57) F10ITGB3ITGA2BTMPRSS2LMNA
SCHEMBL7982523 0.79 EPHX2 (0.65) EPHX2AKR1B1PPARALMNASMN1; SMN2
SCHEMBL7972008 0.78 F10 (0.62) F10ITGB3ITGA2BTMPRSS2LMNA

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
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed