SCHEMBL18211003

SCHEMBL18211003

C=C(C)C(=C)OCCN(CCOC(=O)C(=C)C)c1ccc(/N=N/c2sc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PTBP1 P26599 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10119044 0.96 MMP14 (0.33) MMP14KDM4EMEN1ALDH1A1LMNA
SCHEMBL18211000 0.90 MMP14 (0.31) MMP14
SCHEMBL18210996 0.88 ALDH1A1 (0.38) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15693775 0.87 MMP14 (0.35) MMP14KDM4EMEN1ALDH1A1LMNA
SCHEMBL10119041 0.86 MMP14 (0.33) MMP14ALDH1A1LMNA
SCHEMBL10119042 0.83 ALDH1A1 (0.41) MMP14MEN1ALDH1A1LMNAMAPT
SCHEMBL9176325 0.82 HTT (0.34) MMP14KDM4EMEN1ALDH1A1LMNA
SCHEMBL12776704 0.79 MAPT (0.37) MMP14KDM4EMEN1ALDH1A1LMNA
SCHEMBL625611 0.79 MMP14 (0.49) MMP14MEN1ALDH1A1MAPTKMT2A
SCHEMBL625610 0.79 MMP14 (0.49) MMP14MEN1ALDH1A1MAPTKMT2A

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
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 US disclosed