SCHEMBL8987680

SCHEMBL8987680

N#CCCNC(=O)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
MMP13 P45452 3/20 0.48
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
IRAK4 Q9NWZ3 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
GUSB P08236 2/20 0.44
THRB P10828 1/20 0.43
F7 P08709 1/20 0.43
NPBWR1 P48145 3/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 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
SCHEMBL8987545 0.90 MMP2 (0.49) MAPTRAB9AL3MBTL1HTTMMP13
Hydrochloric Acid SCHEMBL8987691 0.84 MAPT (0.49) MAPTSMN1; SMN2RAB9AL3MBTL1MEN1
SCHEMBL7464891 0.83 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1MEN1HTT
SCHEMBL7473157 0.81 MAPT (0.43) MAPTSMN1; SMN2RAB9AL3MBTL1MEN1
SCHEMBL8611572 0.80 RAB9A (0.64) MAPTSMN1; SMN2RAB9AL3MBTL1MEN1
SCHEMBL7470449 0.80 MAPT (0.39) MAPTSMN1; SMN2RAB9AL3MBTL1KMT2A
SCHEMBL7463872 0.79 MAPT (0.39) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL3918866 0.79 MAPT (0.62) MAPTSMN1; SMN2RAB9AL3MBTL1MEN1
SCHEMBL7467214 0.78 MAPT (0.38) MAPTSMN1; SMN2RAB9AL3MBTL1MEN1
SCHEMBL28761269 0.76 RAB9A (0.80) MAPTSMN1; SMN2RAB9AL3MBTL1MEN1

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