SCHEMBL29570745

SCHEMBL29570745

CCOC(=O)C(C)(F)C(O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39

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
SCHEMBL29570205 0.86 MAPT (0.46) MAPTSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL30676295 0.83 CYP26A1 (0.45) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL30676245 0.83 CYP26A1 (0.45) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL29571174 0.83 CYP26A1 (0.45) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL30676243 0.83 CYP26A1 (0.45) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL29570171 0.83 CYP26A1 (0.45) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9070698 0.80 MAPT (0.43) MAPTSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL23377838 0.76 MAPT (0.45) MAPTSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL23377841 0.76 MAPT (0.45) MAPTSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL24370406 0.76 KCNN4 (0.44) ALDH1A1

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-4229056-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2023-08-23 — — EP disclosed
WO-2022086828-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-28 — — WO disclosed
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