SCHEMBL28622643

SCHEMBL28622643

C=C(OC)C(=O)O.Nc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TSHR P16473 2/20 0.41
DHFR P00374 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A1 P22736 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL28909 0.81
SCHEMBL11034230 0.79 MAPT (0.48) TDP1MAPK1ALDH1A1CYP3A4TSHR
Carbamic Acid SCHEMBL28135902 0.79 ACHE (0.39) TDP1ALDH1A1CA1CA2LMNA
Hydrochloric Acid SCHEMBL31432993 0.78
SCHEMBL28074504 0.78
Ammonia Solution, Strong SCHEMBL28316218 0.78
SCHEMBL27986632 0.78
SCHEMBL3154876 0.77 KMT2A (0.45) TDP1MAPK1ALDH1A1CYP3A4F2
Methacrylic Acid SCHEMBL10621099 0.77 MAPT (0.43) TDP1ALDH1A1CYP3A4TSHRDHFR
Acetic Acid SCHEMBL27982750 0.76 ALDH1A1 (0.46) TDP1ALDH1A1TSHRCA1MAPT

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-113363574-B Polymer electrolyte and preparation method thereof 广东工业大学 2023-06-09 CN disclosed
CN-113363574-A Polymer electrolyte and preparation method thereof 广东工业大学 2021-09-07 CN disclosed