SCHEMBL20262011

SCHEMBL20262011

C=C(CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.55
MAPT P10636 9/20 0.43
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TNNI3 P19429 1/20 0.41

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
SCHEMBL29148022 1.00 MMP14 (0.55) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL8898982 0.93 MMP14 (0.58) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL13758753 0.88 MMP14 (0.66) MMP14MAPTALDH1A1MEN1KMT2A
Methacrylic Acid SCHEMBL16715008 0.85 MMP14 (0.51) MMP14MAPTALDH1A1MEN1KMT2A
Methacrylic Acid SCHEMBL554291 0.85 MMP14 (0.51) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL16222275 0.83 MMP14 (0.74) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL13758776 0.82 MMP14 (0.69) MMP14MAPTALDH1A1MEN1KMT2A
Methacrylic Acid SCHEMBL1462156 0.81 MMP14 (0.47) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL532332 0.81 MAPT (0.59) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL148266 0.81 MAPT (0.59) MMP14MAPTALDH1A1MEN1KMT2A

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-2785296-B1 OCULAR MASK HAVING SELECTIVE SPECTRAL TRANSMISSION ACUFOCUS INC (US) 2018-06-20 EP claimed