SCHEMBL1463264

SCHEMBL1463264

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.44
NOS1 P29475 6/20 0.40
MAPT P10636 9/20 0.39
ALDH1A1 P00352 8/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
MAPK1 P28482 3/20 0.38
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Methacrylic Acid SCHEMBL1462156 0.93 MMP14 (0.47) MMP14NOS1MAPTALDH1A1MEN1
Acrylamide SCHEMBL1461372 0.90 MMP14 (0.44) MMP14NOS1MAPTALDH1A1MEN1
SCHEMBL1461305 0.89 MMP14 (0.47) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL531129 0.89 MMP14 (0.47) MMP14MAPTALDH1A1MEN1KMT2A
Acrylic Acid SCHEMBL1461339 0.87 MMP14 (0.47) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL9950674 0.82 MMP14 (0.48) MMP14MAPTALDH1A1MEN1KMT2A
Methacrylic Acid SCHEMBL16715008 0.80 MMP14 (0.51) MMP14NOS1MAPTALDH1A1MEN1
Methacrylic Acid SCHEMBL554291 0.80 MMP14 (0.51) MMP14NOS1MAPTALDH1A1MEN1
SCHEMBL14341948 0.80 MAPT (0.50) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL18179608 0.79 MAPT (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071629-A1 ULTRA VIOLET, VIOLET, AND BLUE LIGHT FILTERING POLYMERS FOR OPHTHALMIC APPLICATIONS KEY MEDICAL TECHNOLOGIES, INC. (US) 2011-03-24 US claimed
US-20110071629-A1 ULTRA VIOLET, VIOLET, AND BLUE LIGHT FILTERING POLYMERS FOR OPHTHALMIC APPLICATIONS KEY MEDICAL TECHNOLOGIES, INC. (US) 2011-03-24 US disclosed