SCHEMBL5190791

SCHEMBL5190791

CC(C)OC(=O)Nc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.56
MMP9 P14780 6/20 0.56
MMP8 P22894 6/20 0.56
MMP13 P45452 5/20 0.56
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NPBWR1 P48145 2/20 0.48
CHEK2 O96017 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
STAT1 P42224 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
SCHEMBL2982443 0.85 MMP2 (0.48) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5211404 0.84 KMT2A (0.58) RAB9ANPC1MAPTNPBWR1MEN1
SCHEMBL19739335 0.80 MMP2 (0.53) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5191194 0.79 MAPT (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL5190850 0.79 TUBB4A (0.43) RAB9ANPC1MAPTMEN1GAA
SCHEMBL5205370 0.79 ALDH1A1 (0.48) MAPTCHEK2MEN1KMT2ASMN1; SMN2
SCHEMBL5191764 0.79 SIRT2 (0.52) RAB9ANPC1MAPTCHEK2LMNA
SCHEMBL25826318 0.78 NPC1 (0.68) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL6526357 0.78 MMP2 (0.70) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL19739144 0.77 MMP2 (0.60) MMP2MMP9MMP8MMP13RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed