SCHEMBL11948838

SCHEMBL11948838

COCCN(CCN1C(=O)c2ccccc2C1=O)c1ccc(/N=N/c2snc3ccc([N+](=O)[O-])cc23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HTR1A P08908 1/20 0.36
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PABPC1 P11940 1/20 0.34
FTO Q9C0B1 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL11948834 0.91 ALDH1A1 (0.38) POLBHTR1AALDH1A1NPSR1MEN1
SCHEMBL11948829 0.87 ALDH1A1 (0.43) HTR1AALDH1A1NPSR1MEN1GAA
SCHEMBL11948835 0.86 ALDH1A1 (0.46) HTR1AALDH1A1NPSR1MEN1GAA
SCHEMBL11948837 0.85 KDR (0.42) POLBHTR1AALDH1A1NPSR1MEN1
SCHEMBL11948839 0.81 ALDH1A1 (0.34) POLBHTR1AALDH1A1NPSR1MEN1
SCHEMBL11948819 0.80 ALDH1A1 (0.39) POLBALDH1A1NPSR1MEN1GAA
SCHEMBL11948836 0.80 POLB (0.37) POLBHTR1AALDH1A1NPSR1MEN1
SCHEMBL24046326 0.79 POLB (0.45) POLBALDH1A1MEN1GAAKMT2A
SCHEMBL11948832 0.79 KDM4E (0.39) POLBHTR1AALDH1A1NPSR1MEN1
SCHEMBL11948748 0.79 POLB (0.40) POLBALDH1A1NPSR1MEN1GAA

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