SCHEMBL30353093

SCHEMBL30353093

CCN(c1cc(Oc2cccc(C#N)c2)n(C)n1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.38
S1PR1 P21453 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MGLL Q99685 1/20 0.35
EPAS1 Q99814 4/20 0.35
PPARG P37231 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
ICMT O60725 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL30353071 0.82 TBXAS1 (0.36) TBXAS1FNTAFNTBPGGT1BHRH3
SCHEMBL30353122 0.79 TBXAS1 (0.38) TBXAS1FNTAFNTBPGGT1BHRH3
SCHEMBL30353077 0.76 EGLN2 (0.40) TBXAS1FNTAFNTBPGGT1BMGLL
SCHEMBL509344 0.66 KCNH2 (0.41) TBXAS1FNTAFNTBPGGT1BEPAS1
SCHEMBL8379001 0.65 PDE4A (0.54) TBXAS1EPAS1PDE4APDE4BPDE4C
SCHEMBL27839327 0.64 PDE4A (0.53) TBXAS1EPAS1PDE4APDE4BPDE4C
SCHEMBL23949264 0.63
SCHEMBL12750184 0.63 TBXAS1 (0.55) TBXAS1ICMT
SCHEMBL921758 0.63 LTA4H (0.50) TBXAS1PPARGPDE4APDE4BPDE4C
SCHEMBL923347 0.63 LTA4H (0.59) TBXAS1PPARGPDE4APDE4BPDE4C

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
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed