SCHEMBL29190084

SCHEMBL29190084

Nc1c([N+](=O)[O-])c[c]cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 5/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 4/20 0.37
ALOX15 P16050 3/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN5 P54829 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KIF11 P52732 1/20 0.35
SIRT6 Q8N6T7 1/20 0.33
PDE7A Q13946 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
SCHEMBL28866741 0.79 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL12583947 0.73 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL317776 0.73 CYP3A4 (0.42) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL147979 0.73 KIF11 (0.41) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL30152700 0.73 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL1768922 0.73 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL28362510 0.72 XDH (0.39) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL8903008 0.72 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL4914101 0.71 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL8902847 0.71 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRALOX15

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-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed