SCHEMBL26908763

SCHEMBL26908763

COc1c(C)cccc1C(=O)n1nc([AsH2])c2ccc(C3CC3)nc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.35
▸ TP53 P04637 4/20 0.35
▸ HTT P42858 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ CRACR2A Q9BSW2 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL26675311 0.88 MAPT (0.42) MAPTTP53HTTHCRTR2ALDH1A1
SCHEMBL30600513 0.88 MAPT (0.42) MAPTTP53HTTHCRTR2ALDH1A1
SCHEMBL29767947 0.78 HTT (0.42) MAPTTP53HTTHCRTR2POLB
SCHEMBL30600506 0.78 MAPT (0.49) MAPTTP53HTTALDH1A1POLB
SCHEMBL26675364 0.78 HTT (0.42) MAPTTP53HTTHCRTR2POLB
SCHEMBL26675313 0.78 MAPT (0.49) MAPTTP53HTTALDH1A1POLB
SCHEMBL30600526 0.76 HCRTR1 (0.38) MAPTTP53HTTHCRTR2POLB
SCHEMBL26675328 0.76 HCRTR1 (0.38) MAPTTP53HTTHCRTR2POLB
SCHEMBL30600516 0.76 MAPT (0.39) MAPTTP53HTTHCRTR2ALDH1A1
SCHEMBL26675334 0.76 MAPT (0.39) MAPTTP53HTTHCRTR2ALDH1A1

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-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 — — EP disclosed
WO-2022162034-A1 PYRAZOLEAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-04 — — WO disclosed
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