SCHEMBL23075156

SCHEMBL23075156

COc1ccnc2c1CCc1c(OC)ccnc1-2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ADRA1A P35348 4/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ UGCG Q16739 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34

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
SCHEMBL10286198 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL10286613 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17128340 0.74 ACHE (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL15873155 0.74 NPC1 (0.39) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL29600858 0.74 NPC1 (0.39) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL20597761 0.72 RAF1 (0.43) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL4189912 0.72 CYP3A4 (0.38) UGCG
SCHEMBL8783643 0.70 ALDH1A1 (0.33) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17145115 0.70 ADRA1A (0.49) ADRA1AADRA2ACHRM2CHRM1CHRM3
SCHEMBL13313439 0.69 HTR1A (0.48) ADRA1ACCR1CCR5CCR8

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
WO-2021045020-A1 CHARGE GENERATION LAYER AND METHOD FOR PRODUCING SAME, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND ORGANIC THIN FILM SOLAR CELL 日本放送協会 2021-03-11 — — WO disclosed
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