SCHEMBL31182010

SCHEMBL31182010

Cn1cc(-c2ccc3scc(C(=O)O)c3c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
ACVR1 Q04771 1/20 0.43
TBXAS1 P24557 1/20 0.43
DYRK1A Q13627 4/20 0.43
GSK3B P49841 3/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CHEK1 O14757 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
WNT1 P04628 2/20 0.41
RIPK2 O43353 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
PRMT5 O14744 2/20 0.41

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
SCHEMBL31182025 0.84 LMNA (0.52) BRD4ACVR1DYRK1AGSK3BWNT1
SCHEMBL31181996 0.83 BRD4 (0.45) BRD4PIM1PIM2ACVR1DYRK1A
SCHEMBL31181995 0.82 WNT1 (0.49) BRD4DYRK1AGSK3BWNT1CCNC
SCHEMBL31182038 0.82 BRD4 (0.43) BRD4PIM1PIM2ACVR1DYRK1A
SCHEMBL31181982 0.79 DYRK1A (0.44) BRD4DYRK1AGSK3BWNT1RIPK2
SCHEMBL31182000 0.79 GSK3B (0.45) BRD4DYRK1AGSK3BWNT1LRRK2
SCHEMBL31181994 0.77 DYRK1A (0.48) DYRK1AGSK3BWNT1
SCHEMBL22119753 0.74 ACVR1 (0.55) BRD4PIM1PIM2ACVR1DYRK1A
SCHEMBL23559595 0.74 PIM1 (0.56) BRD4PIM1PIM2MKNK1MKNK2
SCHEMBL21818940 0.74 USP30 (0.54) BRD4PIM1PIM2MKNK1MKNK2

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
CN-118878508-A DC-Rhoin derivative, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-11-01 CN disclosed