SCHEMBL29064508

SCHEMBL29064508

Cc1ccc(-c2cccs2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.46
ERN1 O75460 1/20 0.44

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
SCHEMBL11660607 0.83 ERN1 (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8692154 0.83 TDP1 (0.47) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL15741251 0.81 S100A4 (0.47) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL27593939 0.81 ATM (0.50) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL38654501 0.81 S100A4 (0.47) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL6955876 0.81 MAPT (0.54) CYP3A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL11189916 0.79 TSHR (0.72) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL5913033 0.79 ERN1 (0.51) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL5913635 0.79 ERN1 (0.40) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL331601 0.78 ALDH1A1 (0.53) CYP3A4ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438214-A Sealing material for organic EL display element, cured product thereof, and organic EL display device 三井化学株式会社 2023-07-14 CN disclosed