SCHEMBL30353071

SCHEMBL30353071

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.36
EPAS1 Q99814 4/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MGLL Q99685 2/20 0.33
POLB P06746 1/20 0.33
PPARG P37231 1/20 0.33
ICMT O60725 2/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MCHR1 Q99705 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MAP4K4 O95819 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
SCHEMBL30353122 0.87 TBXAS1 (0.38) TBXAS1EPAS1FNTAFNTBPGGT1B
SCHEMBL30353093 0.82 TBXAS1 (0.38) TBXAS1EPAS1FNTAFNTBPGGT1B
SCHEMBL23949264 0.82
SCHEMBL23949260 0.76
SCHEMBL30353077 0.76 EGLN2 (0.40) TBXAS1FNTAFNTBPGGT1BMGLL
SCHEMBL30353052 0.76 GSK3B (0.39)
SCHEMBL25555318 0.75 NSD2 (0.34)
SCHEMBL30257103 0.74 NSD2 (0.31)
SCHEMBL23949259 0.74 NSD2 (0.31)
SCHEMBL25561796 0.67 GRM5 (0.34) FNTAFNTB

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