SCHEMBL28608934

SCHEMBL28608934

[N-]=[N+]=C1C=CC=CC1O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4159020 0.81
Water SCHEMBL28608928 0.79
SCHEMBL19100541 0.69 ALDH1A1 (0.57) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL19100543 0.65 ALDH1A1 (0.52) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL6538859 0.64 ALDH1A1 (0.71) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL29906043 0.64 ALDH1A1 (0.71) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL634848 0.64 ALDH1A1 (0.71) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL26440 0.64 ALDH1A1 (0.71) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL3295423 0.62 ALDH1A1 (0.60) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL28679330 0.62 ALDH1A1 (0.60) ALDH1A1CYP1A2THRBHPGDHSD17B10

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-113264933-B Semiconductor material, field effect transistor device, bipolar semiconductor and application 济南大学 2022-06-17 CN disclosed
CN-113264933-A Semiconductor material, field effect transistor device, bipolar semiconductor and application 济南大学 2021-08-17 CN disclosed