SCHEMBL29445106

SCHEMBL29445106

Cc1c2cnccc2cc2c3cc(O)ccc3n(C)c12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.48
▸ BCHE P06276 3/20 0.46
▸ ACHE P22303 3/20 0.46
▸ KIT P10721 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HASPIN Q8TF76 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MAPK10 P53779 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
SCHEMBL24277244 1.00 TOP2A (0.48) TOP2ABCHEACHEKITPDGFRA
SCHEMBL24276806 0.91 BCHE (0.45) TOP2ABCHEACHEKITPDGFRA
SCHEMBL9739759 0.82 TOP2A (0.66) TOP2AACHEMAPT
SCHEMBL29445058 0.82 ACHE (0.55) TOP2ABCHEACHEKITMAPT
SCHEMBL24276984 0.82 ACHE (0.55) TOP2ABCHEACHEKITMAPT
SCHEMBL24276814 0.80 ADORA3 (0.41) TOP2ABCHEACHEKITPDGFRA
SCHEMBL10413305 0.80 KIT (0.53) TOP2ABCHEACHEKITPDGFRA
SCHEMBL24277131 0.79 HASPIN (0.50) TOP2ABCHEACHEADORA3ADORA2A
SCHEMBL29445019 0.79 HASPIN (0.50) TOP2ABCHEACHEADORA3ADORA2A
SCHEMBL24277794 0.77 TOP2A (0.40) TOP2ABCHEACHEADORA3ADORA2A

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
EP-4210703-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS Expansion Therapeutics, Inc. (US) 2023-07-19 — — EP disclosed
WO-2022055922-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS EXPANSION THERAPEUTICS, INC. (US) 2022-03-17 — — WO disclosed
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