SCHEMBL7203391

SCHEMBL7203391

CCCCc1ccc(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HCAR3 P49019 3/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
STING1 Q86WV6 1/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL29511376 1.00 KMT2A (0.56) KMT2AMAPTNPSR1HTTNPC1
SCHEMBL7959728 0.95 KMT2A (0.54) KMT2AMAPTNPSR1HTTNPC1
SCHEMBL10384686 0.95 KMT2A (0.54) KMT2AMAPTNPSR1HTTNPC1
SCHEMBL5952645 0.92 KMT2A (0.59) KMT2AMAPTNPSR1HTTNPC1
SCHEMBL9365460 0.87 NPC1 (0.47) KMT2AMAPTNPSR1NPC1RAB9A
SCHEMBL3850700 0.86 KMT2A (0.65) KMT2AMAPTNPSR1HTTNPC1
SCHEMBL6623104 0.85 NPC1 (0.54) KMT2AMAPTNPC1RAB9AHCAR3
SCHEMBL9739647 0.85 MAPT (0.57) KMT2AMAPTNPSR1HTTNPC1
SCHEMBL20718790 0.84 MAPT (0.56) KMT2AMAPTNPSR1HTTNPC1
SCHEMBL3870630 0.84 MAPT (0.56) KMT2AMAPTNPSR1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436972-B Pabendazole derivative, and preparation method and application thereof 山东大学 2024-02-13 CN disclosed
CN-114436972-A Pabendazole derivative and preparation method and application thereof 山东大学 2022-05-06 CN disclosed
EP-0622359-B1 Quinoxaline compound, liquid crystal composition containing the compound, liquid crystal device using the composition, display apparatus and display method CANON KK (JP) 2003-03-19 EP disclosed
US-5512209-A IMPROVED RESPONSE CHARACTERISTICS AND HIGH CONTRAST; DISPOSING COMPOSITION BETWEEN ELECTRODE PLATES CANON KABUSHIKI KAISHA (JP) 1996-04-30 US disclosed
EP-0622359-A1 Quinoxaline compound, liquid crystal composition containing the compound, liquid crystal device using the composition, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1994-11-02 EP disclosed
EP-0039367-A4 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM. MINNESOTA MINING & MFG (US) 1982-07-12 EP disclosed
US-4323633-A BUTYLATED 2-HYDROXYPHENYL BENZOTRIAZOLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-04-06 US disclosed
EP-0039367-A1 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-11-11 EP disclosed
WO-1981001473-A1 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM MINNESOTA MINING & MFG (US) 1981-05-28 WO disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 US disclosed
US-4060491-A 5-ALKYL BENZOTRIAZOLE MOBIL OIL CORPORATION (US) 1977-11-29 US disclosed