SCHEMBL29265404

SCHEMBL29265404

FC(F)(F)c1ccccc1C1=NC=C[N]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
NOTUM Q6P988 2/20 0.42
AR P10275 1/20 0.40
PSMB8 P28062 1/20 0.39
TRPA1 O75762 2/20 0.38
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
KMO O15229 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL197671 0.73 HSD11B1 (0.56) HSD11B1NOTUMARPSMB8TRPA1
SCHEMBL8022901 0.71 HSD11B1 (0.54) HSD11B1NOTUMARPSMB8TRPA1
Hydrochloric Acid SCHEMBL29010139 0.71 HSD11B1 (0.54) HSD11B1NOTUMARPSMB8TRPA1
SCHEMBL22304414 0.68 AR (0.58) HSD11B1NOTUMARTRPA1CYP3A4
SCHEMBL8042676 0.67 HSD11B1 (0.42) HSD11B1NOTUMARPSMB8TRPA1
SCHEMBL8390213 0.67 NOTUM (0.44) HSD11B1NOTUMPSMB8CYP3A4CYP1A2
SCHEMBL24297565 0.66 AR (0.56) HSD11B1NOTUMARTRPA1CYP3A4
SCHEMBL163729 0.66 HSD11B1 (0.55) HSD11B1NOTUMARTRPA1ALDH1A1
SCHEMBL13101433 0.66 NOTUM (0.42) HSD11B1NOTUMARPSMB8TRPA1
SCHEMBL7011881 0.65 CYP1A2 (0.60) HSD11B1NOTUMCYP3A4CYP1A2ALDH1A1

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
CN-118290450-A Europium-aluminum-containing lithium adsorbent precursor and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN claimed
CN-118290450-A Europium-aluminum-containing lithium adsorbent precursor and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN disclosed