SCHEMBL11948813

SCHEMBL11948813

CCC(=O)Nc1cc(N(CC)CCN2C(=O)c3ccccc3C2=O)ccc1/N=N/c1sc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 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
RECQL P46063 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
RPS6KA2 Q15349 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL11948814 0.96 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948815 0.93 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948817 0.89 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948811 0.88 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948808 0.86 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948781 0.82 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948794 0.82 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948832 0.81 KDM4E (0.39) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948809 0.81 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11948810 0.81 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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