SCHEMBL7972021

SCHEMBL7972021

N=C(N)c1cccc(C(=O)NCc2ccc(OCCCOc3ccc(CNC(=O)c4cccc(C(=N)N)c4)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.56
PRSS1 P07477 11/20 0.56
F2 P00734 3/20 0.56
PLG P00747 1/20 0.56
PRSS2 P07478 1/20 0.56
C1S P09871 1/20 0.56
PRSS3 P35030 1/20 0.56
LOX P28300 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
KLKB1 P03952 1/20 0.52
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL7392566 0.97 F10 (0.56) F10PRSS1F2PLGPRSS2
SCHEMBL7972008 0.96 F10 (0.62) F10PRSS1F2PLGPRSS2
SCHEMBL7989809 0.96 PRSS1 (0.57) F10PRSS1F2LOXLOXL2
SCHEMBL7986197 0.96 PRSS1 (0.57) F10PRSS1F2LOXLOXL2
SCHEMBL7425136 0.96 PRSS1 (0.57) F10PRSS1F2LOXLOXL2
SCHEMBL7983619 0.96 F10 (0.57) F10PRSS1F2PLGPRSS2
Hydrochloric Acid SCHEMBL5092926 0.93 LOX (0.55) F10PRSS1F2PLGPRSS2
Hydrochloric Acid SCHEMBL5093204 0.88 DRD2 (0.66) F10PRSS1F2LOXLOXL2
SCHEMBL7982578 0.87 TMPRSS2 (0.64) F10PRSS1F2PLGSMN1; SMN2
SCHEMBL7423532 0.86 DRD2 (0.54) F10PRSS1F2PLGLOX

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