SCHEMBL29828514

SCHEMBL29828514

COc1cccc(-c2noc(CCNC(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 5/20 0.53
▸ THRB P10828 1/20 0.53
▸ FFAR1 O14842 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ DGAT2 Q96PD7 1/20 0.48

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
SCHEMBL14846086 0.86 CYP1A2 (0.58) KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL14679175 0.81 MAPT (0.58) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6323754 0.79 HTT (0.67) PKMHTTKMT2AMEN1SMN1; SMN2
SCHEMBL6327470 0.79 MAPT (0.64) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6324681 0.78 FFAR1 (0.75) PKMHTTKMT2AMEN1SMN1; SMN2
SCHEMBL29496321 0.77 MAPT (0.47) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12580581 0.77 MCL1 (0.59) PKMHTTKMT2AMEN1SMN1; SMN2
SCHEMBL14736541 0.76 MAPT (0.46) KMT2AMEN1SMN1; SMN2MAPTL3MBTL1
SCHEMBL22649322 0.76 PPARD (0.53) SMN1; SMN2MAPT
SCHEMBL29463559 0.76 PPARD (0.53) SMN1; SMN2MAPT

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-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 — — WO disclosed
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