SCHEMBL21594504

SCHEMBL21594504

Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(CO)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.45
▸ GPR119 Q8TDV5 5/20 0.44
▸ SMPD3 Q9NY59 1/20 0.43
▸ SUV39H2 Q9H5I1 3/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PIK3CA P42336 1/20 0.42

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
SCHEMBL7898697 0.92 MAPT (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL21667796 0.88 MAPT (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30427506 0.85 MEN1 (0.53) MAPTALDH1A1MEN1KMT2AGPR119
SCHEMBL21590381 0.85 EGLN2 (0.44) GPR119
SCHEMBL23560863 0.81 MAPT (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23560709 0.81 MEN1 (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31490530 0.79 LMNA (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL21590374 0.78 ALDH1A1 (0.55) MAPTALDH1A1GPR119HTT
SCHEMBL12070614 0.78 MAPT (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL18087219 0.78 ALDH1A1 (0.57) MAPTALDH1A1LMNAMEN1KMT2A

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-2019238629-A1 PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 — — WO disclosed
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