SCHEMBL17040938

SCHEMBL17040938

CCOC(=O)C1=C(Nc2ccccc2)COC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ACHE P22303 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ ILK Q13418 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TP53 P04637 1/20 0.45

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
SCHEMBL1564195 0.85 MAPT (0.47) MAPTLMNAMAPK1ACHESMN1; SMN2
SCHEMBL8022715 0.84 MAPT (0.50) MAPTLMNAMAPK1HSD17B10ACHE
SCHEMBL3911808 0.82 MAPT (0.52) MAPTLMNAMAPK1HSD17B10ACHE
SCHEMBL10803715 0.82 MAPT (0.50) MAPTLMNAMAPK1HSD17B10ACHE
SCHEMBL3909913 0.79 MAPT (0.49) MAPTLMNAMAPK1HSD17B10ACHE
SCHEMBL11454704 0.73 TP53 (0.46) MAPTLMNAMAPK1HSD17B10ACHE
SCHEMBL12988391 0.73 CASP3 (0.57) MAPTLMNAMAPK1HSD17B10SMN1; SMN2
SCHEMBL3911811 0.73 ACHE (0.47) MAPTLMNAMAPK1HSD17B10ACHE
SCHEMBL8232227 0.73 MEN1 (0.52) MAPTLMNAMAPK1SMN1; SMN2MEN1
SCHEMBL3905204 0.72 NPC1 (0.47) MAPTLMNAMAPK1HSD17B10ACHE

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-2015125785-A1 PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS 第一三共株式会社 2015-08-27 — — WO disclosed
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