SCHEMBL8987545

SCHEMBL8987545

N#CCCNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.49
MMP9 P14780 6/20 0.49
MMP8 P22894 6/20 0.49
MMP13 P45452 5/20 0.49
NPBWR1 P48145 2/20 0.49
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CHEK2 O96017 5/20 0.48
GUSB P08236 1/20 0.45

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
SCHEMBL8987680 0.90 MAPT (0.51) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL7464891 0.85 MAPT (0.40) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL7473157 0.83 MAPT (0.43) MMP2MMP9MMP8MMP13NPBWR1
Hydrochloric Acid SCHEMBL8987620 0.83 CHEK2 (0.50) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL8987601 0.83 MMP2 (0.50) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL7470449 0.82 MAPT (0.39) MAPTL3MBTL1NPC1RAB9A
SCHEMBL7463872 0.81 MAPT (0.39) NPBWR1MAPTL3MBTL1
SCHEMBL7467214 0.80 MAPT (0.38) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL5217712 0.79 CHEK2 (0.71) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL5217409 0.77 PRSS12 (0.54) MMP2MMP9MMP8MMP13NPBWR1

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-0719765-A2 Phenylbenzimidazole derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-03 EP disclosed