SCHEMBL5961422

SCHEMBL5961422

N=C(NN)N(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 1/20 0.39
IDO1 P14902 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL13196582 0.84 ALDH1A1 (0.42) ALDH1A1NPSR1KMT2AL3MBTL1MEN1
SCHEMBL2481899 0.79 NPSR1 (0.46) ALDH1A1NPSR1KMT2AL3MBTL1MEN1
SCHEMBL3058170 0.78 ALDH1A1 (0.48) ALDH1A1NPSR1KMT2AL3MBTL1MEN1
SCHEMBL7421824 0.78 LMNA (0.47) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL4099517 0.77 L3MBTL1 (0.45) ALDH1A1NPSR1KMT2AL3MBTL1MEN1
SCHEMBL3400124 0.77 NPSR1 (0.44) ALDH1A1NPSR1KMT2AL3MBTL1MEN1
SCHEMBL1792956 0.76 ALDH1A1 (0.43) ALDH1A1NPSR1KMT2AL3MBTL1MEN1
SCHEMBL109209 0.76 ALDH1A1 (0.43) ALDH1A1NPSR1KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL3143822 0.74 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2AL3MBTL1MEN1
SCHEMBL1797820 0.73 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AL3MBTL1MEN1

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-1353986-B1 COLORED THERMOPLASTIC RESIN COMPOSITIONS FOR LASER WELDING, ANTHRAQUINONE COLORANTS THEREFOR AND MOLDED PRODUCT THEREFROM DU PONT (US) 2006-04-12 EP claimed
EP-1334148-B1 COLORED THERMOPLASTIC RESIN COMPOSITIONS FOR LASER WELDING, COLORANTS THEREFOR OF MIXTURES OF AMINE SALTS OF ANTHRAQUINONE AND MONOAZO COMPLEX DYES, AND MOLDED PRODUCT THEREFROM DU PONT (US) 2006-03-15 EP claimed
EP-1353986-B1 COLORED THERMOPLASTIC RESIN COMPOSITIONS FOR LASER WELDING, ANTHRAQUINONE COLORANTS THEREFOR AND MOLDED PRODUCT THEREFROM DU PONT (US) 2006-04-12 EP disclosed
EP-1334148-B1 COLORED THERMOPLASTIC RESIN COMPOSITIONS FOR LASER WELDING, COLORANTS THEREFOR OF MIXTURES OF AMINE SALTS OF ANTHRAQUINONE AND MONOAZO COMPLEX DYES, AND MOLDED PRODUCT THEREFROM DU PONT (US) 2006-03-15 EP disclosed