SCHEMBL17147017

SCHEMBL17147017

CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)O)nc2)C(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.48
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CKS1B P61024 2/20 0.39
▸ SKP1 P63208 2/20 0.39
▸ SKP2 Q13309 2/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ F2RL1 P55085 1/20 0.36
▸ MET P08581 1/20 0.36
▸ WNT3A P56704 1/20 0.36

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
SCHEMBL30512278 0.91 MAPT (0.52) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL14925978 0.91 MAPT (0.52) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL14933994 0.88 GPR119 (0.49) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL14930420 0.84 GPR119 (0.51) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL29741868 0.84 GPR119 (0.50) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL17525877 0.82 MAPT (0.59) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL16357010 0.82 GPR119 (0.48) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL38661127 0.77 GPR119 (0.49) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL12740840 0.75 GPR119 (0.65) GPR119MAPTCKS1BSKP1SKP2
SCHEMBL14915852 0.74 POLB (0.48) MAPTALDH1A1LMNASMN1; SMN2TGM2

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
EP-2773638-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2015-10-07 — — EP disclosed
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