SCHEMBL26102446

SCHEMBL26102446

COC(=O)c1ccc(C#N)cc1C1(C(C)(C)C)C=CN=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAP2K1 Q02750 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PLAU P00749 1/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM5A P29375 1/20 0.31

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
SCHEMBL26104159 0.87 SLC22A12 (0.35) MAP2K1KDM5B
SCHEMBL26101458 0.80 EGLN2 (0.36) EGLN2NAMPTKDM4EMAP2K1GAA
SCHEMBL26101807 0.79 NR1I2 (0.36) ALDH1A1HCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL26099432 0.77 NR1I2 (0.41) EGLN2ALDH1A1HPGDCYP11B2CYP11B1
SCHEMBL26102005 0.75 NR1I2 (0.41) HCRTR1HCRTR2
SCHEMBL11520744 0.70 CA12 (0.46) EGLN2NAMPTKDM4EMAP2K1GAA
SCHEMBL409948 0.67 MEN1 (0.50) MAP2K1GAAALDH1A1CYP11B2CYP11B1
SCHEMBL289565 0.67 LRRK2 (0.45) NAMPTKDM4EGAAALDH1A1HPGD
SCHEMBL5961092 0.67 CA12 (0.61) NAMPTKDM4EGAAALDH1A1HPGD
SCHEMBL16951317 0.67 CA12 (0.40) EGLN2NAMPTKDM4EMAP2K1GAA

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-4423090-A2 ANTAGONISTS OF GPR39 PROTEIN Vasocardea, Inc. (US) 2024-09-04 EP disclosed
WO-2023076219-A2 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA, INC. (US) 2023-05-04 WO disclosed