SCHEMBL11948832

SCHEMBL11948832

CCC(=O)Nc1cc(N(CC)CCN2C(=O)c3ccccc3C2=O)ccc1/N=N/c1snc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.37
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 8/20 0.36
MEN1 O00255 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 1/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11948833 0.96 ALDH1A1 (0.39) KDM4ELMNAPOLBKMT2AALDH1A1
SCHEMBL11948836 0.94 POLB (0.37) KDM4ELMNAPOLBKMT2AALDH1A1
SCHEMBL11948744 0.90 ALDH1A1 (0.39) KDM4ELMNAPOLBKMT2AALDH1A1
SCHEMBL11948830 0.89 ALDH1A1 (0.42) KMT2AALDH1A1MEN1NPSR1GAA
SCHEMBL11948834 0.87 ALDH1A1 (0.38) POLBKMT2AALDH1A1MEN1NPSR1
SCHEMBL17324181 0.85 KMT2A (0.41) LMNAPOLBKMT2AALDH1A1MEN1
SCHEMBL11948829 0.83 ALDH1A1 (0.43) KMT2AALDH1A1MEN1NPSR1GAA
SCHEMBL11948835 0.82 ALDH1A1 (0.46) KMT2AALDH1A1MEN1NPSR1GAA
SCHEMBL15886720 0.82 ALDH1A1 (0.38) KDM4ELMNAPOLBKMT2AALDH1A1
SCHEMBL11948813 0.81 ALDH1A1 (0.38) KDM4ELMNAPOLBKMT2AALDH1A1

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