SCHEMBL27045351

SCHEMBL27045351

CC(CNc1nc(-c2ccc(-c3cnco3)cc2)c(-c2cccc3[nH]ccc23)s1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ PIP4K2A P48426 1/20 0.33
▸ PIP4K2B P78356 1/20 0.33
▸ PIP4K2C Q8TBX8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL27045835 0.89 HPGDS (0.35) HPGDSPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL27045833 0.86 HPGDS (0.37) HPGDSPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL27046350 0.86 HPGDS (0.37) HPGDSPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL27045982 0.85 CNR2 (0.37) HPGDSS1PR4S1PR5PTGS2ABL1
SCHEMBL27046113 0.84 HPGDS (0.36) HPGDSPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL27045440 0.84 PTGS2 (0.41) HPGDSS1PR4S1PR5PTGS2ABL1
SCHEMBL27045691 0.83 ABL1 (0.34) HPGDSPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL27045997 0.83 PTGS2 (0.50) ADORA2AADORA1PTGS2AAK1KDM4E
SCHEMBL27045996 0.80 PTGS2 (0.41) ADORA2AADORA1PTGS2AAK1KDM4E
SCHEMBL27045994 0.80 PTGS2 (0.42) ADORA2AADORA1PTGS2AAK1KDM4E

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
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 — — EP disclosed
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