SCHEMBL8601919

SCHEMBL8601919

O=C(O)c1ccc2nc(-c3csc([N+](=O)[O-])c3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 11/20 0.60
NR4A2 P43354 1/20 0.56
NPBWR1 P48145 2/20 0.51
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
MMP13 P45452 2/20 0.50
HSP90AA1 P07900 1/20 0.50
ESR2 Q92731 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FHIT P49789 1/20 0.49
NPC1 O15118 3/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKN1 Q16512 2/20 0.47
PKN2 Q16513 2/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL7464927 0.91 CHEK2 (0.49) CHEK2NR4A2NPBWR1MMP2MMP9
SCHEMBL5217725 0.81 CHEK2 (0.87) CHEK2NR4A2NPBWR1MMP2MMP9
SCHEMBL8600314 0.79 CHEK2 (0.60) CHEK2NR4A2NPBWR1MMP2MMP9
SCHEMBL20982644 0.78 NR4A2 (0.86) CHEK2NR4A2MMP2MMP9MMP8
SCHEMBL3167456 0.77 CHEK2 (0.57) CHEK2NR4A2NPBWR1MMP2MMP9
SCHEMBL20982607 0.77 CHEK2 (0.63) CHEK2NR4A2NPBWR1MMP2MMP9
SCHEMBL5219768 0.77 NR4A2 (0.83) CHEK2NR4A2MMP2MMP9MMP8
SCHEMBL4259320 0.76 PKN1 (0.77) CHEK2NR4A2MMP2MMP9MMP8
SCHEMBL5221558 0.76 NPBWR1 (0.80) CHEK2NPBWR1MMP2MMP9MMP8
SCHEMBL3178116 0.76 CHEK2 (0.78) CHEK2NR4A2MMP2MMP9MMP8

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-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed