SCHEMBL29025949

SCHEMBL29025949

COc1cc(-c2cc(OC)c(N)cc2Cl)c(Cl)cc1N.Nc1ccc(-c2c(Cl)c(Cl)c(N)c(Cl)c2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CHEK1 O14757 3/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 2/20 0.33
▸ MGAM O43451 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL1656244 0.81 ALDH1A1 (0.61) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL139296 0.78 GAA (0.72) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL9317017 0.77 ALDH1A1 (0.69) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL10767812 0.77 GAA (0.56) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL3821946 0.74 CYP3A4 (0.48) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL28089956 0.74 ALDH1A1 (0.63) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL16821950 0.73 GAA (0.64) GAAALDH1A1CYP3A4TSHRHSD17B10
Hydrochloric Acid SCHEMBL28945906 0.73 CYP3A4 (0.46) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL12775034 0.71 GAA (0.60) GAAALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL3359637 0.69 ALDH1A1 (0.59) GAAALDH1A1CYP3A4TSHRHSD17B10

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-110079088-B Polyimide precursor solution, molded body, and method for producing molded body 富士胶片商业创新有限公司 2023-06-30 — — CN disclosed
Send feedback