SCHEMBL30307314

SCHEMBL30307314

NC(=O)c1ccccc1N=Cc1ccc([N+](=O)[O-])s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.64
▸ LMNA P02545 14/20 0.64
▸ KDM4E B2RXH2 11/20 0.64
▸ HPGD P15428 8/20 0.64
▸ UBE2I P63279 1/20 0.64
▸ SAE1 Q9UBE0 1/20 0.64
▸ UBA2 Q9UBT2 1/20 0.64
▸ MAPT P10636 10/20 0.62
▸ KMT2A Q03164 9/20 0.62
▸ MEN1 O00255 8/20 0.62
▸ L3MBTL1 Q9Y468 7/20 0.62
▸ POLB P06746 6/20 0.62
▸ HSP90AA1 P07900 5/20 0.62
▸ RECQL P46063 3/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ HTT P42858 9/20 0.56
▸ SMN1; SMN2 Q16637 9/20 0.56
▸ MITF O75030 4/20 0.53
▸ CYP1A2 P05177 2/20 0.53

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
SCHEMBL12443484 0.81 MAPT (0.67) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL10090686 0.79 ALDH1A1 (1.00) ALDH1A1LMNAKDM4EHPGDUBE2I
SCHEMBL10090730 0.79 ALDH1A1 (0.71) ALDH1A1LMNAKDM4EHPGDUBE2I
SCHEMBL29550487 0.79 ALDH1A1 (0.71) ALDH1A1LMNAKDM4EHPGDUBE2I
SCHEMBL29577879 0.79 ALDH1A1 (0.71) ALDH1A1LMNAKDM4EHPGDUBE2I
SCHEMBL24490592 0.79 ALDH1A1 (0.71) ALDH1A1LMNAKDM4EHPGDUBE2I
SCHEMBL10090684 0.77 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EHPGDUBE2I
SCHEMBL30387886 0.76 MAPT (1.00) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL24169570 0.76 MAPT (1.00) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL22299221 0.74 ALDH1A1 (0.69) ALDH1A1LMNAKDM4EHPGDMAPT

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
WO-2023034413-A2 METHODS AND AGENTS FOR MODULATING THE IMMUNE RESPONSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-09 — — WO claimed
WO-2023034413-A2 METHODS AND AGENTS FOR MODULATING THE IMMUNE RESPONSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-09 — — WO disclosed
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