SCHEMBL7902880

SCHEMBL7902880

COC(=O)CN(CC(=O)OC)Cc1cc(-c2ccc([N+](=O)[O-])cc2)cc(CN(CC(=O)OC)CC(=O)OC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 3/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NR1D1 P20393 2/20 0.39
MCL1 Q07820 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTB4R Q15722 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
SCHEMBL8549577 0.87 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2RAB9ACYP1A2
SCHEMBL7908882 0.82 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2RAB9AGAA
SCHEMBL7902881 0.81 LTB4R (0.44) ALDH1A1MAPTSMN1; SMN2RAB9ACYP1A2
SCHEMBL10533251 0.78 NR1D1 (0.57) ALDH1A1MAPTRAB9APTGS2POLB
SCHEMBL8229645 0.74 RAB9A (0.46) ALDH1A1MAPTSMN1; SMN2RAB9AGAA
SCHEMBL10533234 0.72 CYP2D6 (0.62) ALDH1A1MAPTSMN1; SMN2RAB9ACYP1A2
SCHEMBL21044388 0.72 SLC6A3 (0.51) ALDH1A1MAPTSMN1; SMN2RAB9AGAA
SCHEMBL5207545 0.70 PYCR1 (0.55) ALDH1A1MAPTKMT2APTGS2NR1D1
SCHEMBL9360196 0.69 RAB9A (0.46) ALDH1A1MAPTSMN1; SMN2RAB9AGAA
SCHEMBL3034317 0.69 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242268-B1 USING WATER-SOLUBLE, FLUORESCENT, RARE EARTH METAL CHELATES AS TAGS ON SPECIFIC BINDING PARTNERS AND DETECTING FLUORESCENT EMISSION FROM SAMPLE AFTER FLUORESCENCE OF AMBIENT SUSBTANCES HAVE DECAYED EG&G WALLAC (FI) 2001-06-05 US disclosed
EP-0525825-B1 Substituted dicarboxy pyridine compounds EG & G WALLAC OY (FI) 1998-12-09 EP disclosed
EP-0195413-B1 Substituted pyridine derivatives BAXTER DIAGNOSTICS INC (US) 1993-11-18 EP disclosed
EP-0525825-A2 Substituted dicarboxy pyridine compounds Dade MicroScan Inc. (US) 1993-02-03 EP disclosed
US-4925804-A REPORTER MECHANISM FOR BIOSPECIFIC REACTIONS BAXTER INTERNATIONAL INC. (US) 1990-05-15 US disclosed
US-4761481-A FLUORESCENT CHELATES, AMINE ACID COMPOUNDS BAXTER TRAVENOL LABORATORIES, INC. (US) 1988-08-02 US disclosed