SCHEMBL11948833

SCHEMBL11948833

CCC(=O)Nc1cc(N(CC)CCCN2C(=O)c3ccccc3C2=O)ccc1/N=N/c1snc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 4/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36

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
SCHEMBL11948832 0.96 KDM4E (0.39) ALDH1A1MEN1KMT2ARECQLUSP2
SCHEMBL11948744 0.94 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ARECQLUSP2
SCHEMBL11948830 0.92 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ARECQLUSP2
SCHEMBL11948836 0.90 POLB (0.37) ALDH1A1MEN1KMT2ARECQLUSP2
SCHEMBL11948829 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARECQLUSP2
SCHEMBL11948835 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ARECQLUSP2
SCHEMBL17324181 0.83 KMT2A (0.41) ALDH1A1MEN1KMT2ARECQLHPGD
SCHEMBL11948834 0.83 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ARECQLUSP2
SCHEMBL11948814 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ARECQLUSP2
SCHEMBL15886720 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ARECQLHPGD

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
EP-2167496-B1 AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2014-09-24 EP disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-20100196676-A1 AZO DYES HUNTSMAN INTERNATIONAL LLC (US) 2010-08-05 US disclosed
US-20100196676-A1 AZO DYES HUNTSMAN INTERNATIONAL LLC (US) 2010-08-05 US disclosed
WO-2009013122-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2009-01-29 WO disclosed