SCHEMBL11948817

SCHEMBL11948817

CCN(CCCN1C(=O)c2ccccc2C1=O)c1ccc(/N=N/c2sc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 4/20 0.36
POLB P06746 4/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
PABPC1 P11940 1/20 0.36
CCR6 P51684 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL11948811 0.98 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1USP2HPGD
SCHEMBL11948815 0.95 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1USP2HPGD
SCHEMBL11948814 0.93 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1USP2HPGD
SCHEMBL11948813 0.89 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1USP2HPGD
SCHEMBL11948809 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1USP2HPGD
SCHEMBL11919714 0.85 MAPT (0.42) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL11320251 0.85 MAPT (0.42) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL29383943 0.85 MAPT (0.42) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL14198815 0.85 MAPT (0.42) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL11948810 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1USP2HPGD

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