SCHEMBL19986696

SCHEMBL19986696

O=C(c1ccc2nc(-c3ccccn3)[nH]c2c1)N1CCN(C(O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.51
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
F7 P08709 1/20 0.48
CBFB Q13951 8/20 0.47
CHEK2 O96017 4/20 0.45
MGLL Q99685 1/20 0.45
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44
FGFR3 P22607 2/20 0.44
KDR P35968 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RUNX1 Q01196 1/20 0.42

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
SCHEMBL19986744 0.88 MGLL (0.57) ACACBCHEK2MGLLHPGD
SCHEMBL19970761 0.87 ACACB (0.53) ACACBF2F10F7CBFB
SCHEMBL19986737 0.85 ACACB (0.51) ACACBCHEK2MGLLALDH1A1TP53
SCHEMBL19970760 0.80 ENPP2 (0.52) ACACBCBFBMGLLNPC1RAB9A
SCHEMBL19970749 0.76 RUNX1 (0.56) ACACBF2F10F7CBFB
SCHEMBL19970769 0.75 CBFB (0.56) ACACBF2F10F7CBFB
SCHEMBL19970849 0.75 RUNX1 (0.58) ACACBF2F10F7CBFB
SCHEMBL19970732 0.75 ACACB (0.52) ACACBF2F10F7CBFB
SCHEMBL19970784 0.74 MGLL (0.59) ACACBCHEK2MGLLHPGD
SCHEMBL19970771 0.74 CBFB (0.53) CBFBNPC1RAB9AKDM4EALDH1A1

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
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP disclosed