SCHEMBL25819010

SCHEMBL25819010

CCCCc1nc2c[n+](O)c3cc(C)sc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.38
ADORA2B P29275 1/20 0.37
RORC P51449 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
CHEK2 O96017 2/20 0.34
GPR119 Q8TDV5 3/20 0.34
P2RX3 P56373 2/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL25819220 0.92 GLS (0.37) GLSRORCKDM4EMAPTPDE4D
SCHEMBL25260616 0.92 RORC (0.37) GLSADORA2BRORCKDM4EMAPT
SCHEMBL31270748 0.85 ADORA2B (0.41) GLSADORA2BRORCCHEK2GPR119
SCHEMBL25262168 0.85 ADORA2B (0.41) GLSADORA2BRORCCHEK2GPR119
SCHEMBL25301552 0.83 RORC (0.37) GLSRORCKDM4EMAPTGPR119
SCHEMBL25818360 0.81 TLR7 (0.36) P2RX3
SCHEMBL25294832 0.79 ADORA2B (0.40) GLSADORA2BRORCKDM4EMAPT
SCHEMBL31270807 0.79 ADORA2B (0.40) GLSADORA2BRORCKDM4EMAPT
SCHEMBL25303740 0.79 P2RX3 (0.43) P2RX3LMNAFAAHMEN1KMT2A
SCHEMBL31270623 0.78 GLS (0.39) GLSRORCGPR119LMNAFAAH

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-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed