SCHEMBL10119042

SCHEMBL10119042

C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)c1ccc(/N=N/c2sc([N+](=O)[O-])cc2C(=O)OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 8/20 0.34
SMN1; SMN2 Q16637 6/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
GALR2 O43603 1/20 0.32
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
XBP1 P17861 1/20 0.32
CCR6 P51684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 3/20 0.32
HTT P42858 3/20 0.32
GAA P10253 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PABPC1 P11940 1/20 0.32

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
SCHEMBL18210996 0.97 ALDH1A1 (0.38) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL10119041 0.91 MMP14 (0.33) ALDH1A1LMNAMMP14
SCHEMBL18211000 0.88 MMP14 (0.31) MMP14
SCHEMBL9176325 0.88 HTT (0.34) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL10119044 0.87 MMP14 (0.33) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL18211003 0.83 MMP14 (0.32) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL625610 0.78 MMP14 (0.49) ALDH1A1MAPTSMN1; SMN2POLBHSP90AA1
SCHEMBL625611 0.78 MMP14 (0.49) ALDH1A1MAPTSMN1; SMN2POLBHSP90AA1
SCHEMBL15693775 0.77 MMP14 (0.35) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL8724009 0.76 LMNA (0.39) ALDH1A1LMNAMAPTSMN1; SMN2POLB

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 5 patents. 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
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
WO-2012019704-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-02-16 WO disclosed