SCHEMBL19789897

SCHEMBL19789897

C=Cc1c(/C=C\C)n(C)c2cccc(-n3c4ccccc4c4ccccc43)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ BCHE P06276 5/20 0.32
▸ ACHE P22303 5/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ ALKBH5 Q6P6C2 1/20 0.31
▸ FTO Q9C0B1 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ AHR P35869 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
SCHEMBL19789714 0.85 — —
SCHEMBL19849120 0.82 — —
SCHEMBL19849118 0.82 GPR3 (0.36) GPR3ALDH1A1BCHEACHEALKBH5
SCHEMBL18626392 0.79 LMNA (0.44) GPR3ALDH1A1TDP1L3MBTL1ALKBH5
SCHEMBL19789908 0.78 MAPT (0.33) ALDH1A1TDP1ALKBH5FTOMAPT
SCHEMBL25851467 0.77 TOP2A (0.37) GPR3BCHEACHEALKBH5FTO
SCHEMBL25941120 0.76 ALDH1A1 (0.34) ALDH1A1L3MBTL1ATM
SCHEMBL20708743 0.76 — —
SCHEMBL16883877 0.75 GPR3 (0.44) GPR3ALDH1A1BCHEACHETDP1
SCHEMBL19849173 0.74 — —

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-2650941-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-01-24 — — EP disclosed
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