SCHEMBL25851467

SCHEMBL25851467

C=Cc1c(C)c(/C=C\C)n(-c2cccc3c2c2ccccc2n3C)c1C=C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.37
▸ BCHE P06276 5/20 0.34
▸ ACHE P22303 5/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NQO2 P16083 1/20 0.32
▸ ALKBH5 Q6P6C2 1/20 0.31
▸ FTO Q9C0B1 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ UTS2R Q9UKP6 1/20 0.30

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
SCHEMBL25851430 0.92 TOP2A (0.35) TOP2ABCHEACHEGPR3MAPT
SCHEMBL19849120 0.87 — —
SCHEMBL19849118 0.85 GPR3 (0.36) TOP2ABCHEACHEGPR3MAPT
SCHEMBL26200649 0.83 GPR3 (0.39) TOP2ABCHEACHEGPR3MAPT
SCHEMBL19789897 0.77 GPR3 (0.34) BCHEACHEGPR3MAPTHTT
SCHEMBL19789714 0.76 — —
SCHEMBL19849213 0.74 GPR3 (0.34) TOP2ABCHEACHEGPR3MAPT
SCHEMBL26742931 0.73 MEN1 (0.32) —
SCHEMBL18626392 0.72 LMNA (0.44) GPR3MAPTHTTALKBH5FTO
SCHEMBL19849215 0.70 TSHR (0.32) TOP2AGPR3TSHR

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
EP-3279961-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-07-19 — — EP disclosed
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