SCHEMBL3710322

SCHEMBL3710322

CSCCC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3cccnc3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ ADORA3 P0DMS8 8/20 0.37
▸ ADORA1 P30542 4/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ XIAP P98170 2/20 0.35
▸ BIRC2 Q13490 2/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL3713666 0.90 CYP19A1 (0.39) FNTAFNTBFFAR1ADORA3ADORA1
SCHEMBL13188334 0.88 HDAC6 (0.43) ADORA3ADORA1ADORA2AMEN1RAB9A
SCHEMBL13188263 0.85 HDAC6 (0.42) FFAR1HIF1AEPAS1ALDH1A1XIAP
SCHEMBL3714241 0.84 HDAC6 (0.41) FFAR1HIF1AEPAS1ALDH1A1MEN1
SCHEMBL3721264 0.84 FFAR1 (0.37) FFAR1ADORA1HIF1AEPAS1ALDH1A1
SCHEMBL3716099 0.84 FFAR1 (0.41) FFAR1HIF1AEPAS1KDM4EALDH1A1
SCHEMBL3714333 0.83 HDAC1 (0.49) ADORA3ADORA1HIF1AEPAS1ALDH1A1
SCHEMBL3720871 0.83 CLK2 (0.37) FFAR1ADORA3ADORA1ADORA2AHIF1A
SCHEMBL3719635 0.83 ABL1 (0.41) —
SCHEMBL3709347 0.81 PTGES (0.42) HIF1AEPAS1ALDH1A1XIAPBIRC2

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
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