SCHEMBL7908882

SCHEMBL7908882

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTB4R Q15722 4/20 0.34
TP53 P04637 1/20 0.34
GSK3B P49841 1/20 0.33
GFER P55789 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 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
SCHEMBL7902881 0.86 LTB4R (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7902880 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL12293197 0.81 LTB4R (0.38) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2769995 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL10531431 0.76 MAPT (0.47) ALDH1A1MAPTLMNAGAAGFER
SCHEMBL8549577 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2770189 0.72 GLRA3 (0.34) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8546271 0.72 MEN1 (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8755383 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8225522 0.71 PPIB (0.42) ALDH1A1MEN1KMT2AMAPTLMNA

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 7 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
EP-0195413-A2 Substituted pyridine derivatives Baxter Diagnostics Inc. (US) 1986-09-24 EP disclosed