SCHEMBL28864893

SCHEMBL28864893

O=[N+]([O-])c1ccccc1CCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ACHE P22303 1/20 0.48
HPGD P15428 1/20 0.46
CEL P19835 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
MAPT P10636 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL7441223 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1733071 0.80 CEL (0.51) TSHRL3MBTL1CELSIGMAR1KDM1A
SCHEMBL8549307 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ATSHR
Carbamic Acid SCHEMBL16174715 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL12219085 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL3202573 0.76 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL16191584 0.76 CEL (0.49) ALDH1A1KMT2AL3MBTL1HPGDCEL
SCHEMBL6424070 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL11779612 0.75 ALDH1A1 (0.87) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1732699 0.74 CEL (0.46) ALDH1A1TSHRL3MBTL1ACHECEL

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-115244465-A Negative photosensitive resin composition, pattern structure, and method for producing pattern cured film 中央硝子株式会社 2022-10-25 CN disclosed