SCHEMBL11948751

SCHEMBL11948751

CCN(CCN1C(=O)c2ccccc2C1=O)c1ccc(/N=N/c2c(C#N)cc([N+](=O)[O-])cc2C#N)c(NC(C)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RECQL P46063 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
GAA P10253 1/20 0.37
RPS6KA2 Q15349 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL11948771 0.96 ALDH1A1 (0.37) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL11948745 0.96 ALDH1A1 (0.42) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL11948803 0.95 ALDH1A1 (0.38) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL11948766 0.95 ALDH1A1 (0.40) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL11948768 0.95 ALDH1A1 (0.45) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL11948752 0.93 LMNA (0.39) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL9590430 0.93 POLB (0.40) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL9590429 0.93 POLB (0.40) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL11948773 0.92 ALDH1A1 (0.40) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL11948741 0.91 ALDH1A1 (0.42) ALDH1A1MAPK1POLBMEN1KMT2A

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 4 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-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