SCHEMBL4841899

SCHEMBL4841899

Cc1ccc(C(=O)Cc2cc(O)cc(-c3cccc4[nH]ccc34)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.42
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PIK3CD O00329 5/20 0.39
PIK3CB P42338 4/20 0.39
PIM1 P11309 2/20 0.39
GSK3B P49841 2/20 0.39
ABL1 P00519 1/20 0.39
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CA P42336 1/20 0.38
ASH1L Q9NR48 1/20 0.38
PARP14 Q460N5 1/20 0.37
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
GYS1 P13807 1/20 0.35

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
SCHEMBL3924840 0.85 HSD17B1 (0.43) HPGDSCSNK2BCSNK2A1PIK3CDPIK3CB
SCHEMBL3931589 0.74 ASH1L (0.43) HPGDSCSNK2BCSNK2A1PIK3CDPIK3CB
SCHEMBL3928854 0.73 HPGDS (0.41) HPGDSCSNK2BCSNK2A1PIK3CDPIK3CB
SCHEMBL4841884 0.72 HPGDS (0.38) HPGDSCSNK2BCSNK2A1PIK3CDPIK3CB
SCHEMBL3927169 0.72 PIK3CD (0.43) HPGDSCSNK2BCSNK2A1PIK3CDPIK3CB
SCHEMBL3927131 0.72 ASH1L (0.44) HPGDSCSNK2BCSNK2A1PIK3CDPIK3CB
SCHEMBL3936540 0.72 TUBB4A (0.43) HPGDSPIK3CDPIK3CBPIM1GSK3B
SCHEMBL3928762 0.70 HPGDS (0.47) HPGDSCSNK2BCSNK2A1PIK3CDPIK3CB
SCHEMBL3929341 0.70 PIK3CD (0.48) HPGDSPIK3CDPIK3CBPIM1GSK3B
SCHEMBL3929319 0.68 PIK3CD (0.49) HPGDSPIK3CDPIK3CBPIM1GSK3B

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-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed