SCHEMBL27364321

SCHEMBL27364321

CNC(=O)N(O)c1ccc2c(c1)CCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 7/20 0.43
▸ WNT3A P56704 7/20 0.43
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ PIR O00625 1/20 0.38
▸ HSF1 Q00613 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL27342125 0.81 CTNNB1 (0.46) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL9206920 0.80 RXRA (0.48) —
SCHEMBL1726294 0.69 CTNNB1 (0.61) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL3782345 0.69 CTNNB1 (0.57) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL29739444 0.69 CYP1A2 (0.65) CTNNB1WNT3APIRHSF1
SCHEMBL2245406 0.69 CYP1A2 (0.65) CTNNB1WNT3APIRHSF1
SCHEMBL671055 0.69 CTNNB1 (0.57) CTNNB1WNT3APIRHSF1PRKCI
SCHEMBL23432653 0.68 TRIM24 (0.44) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL29546196 0.68 TRIM24 (0.44) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL27363199 0.68 ACHE (0.42) —

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-1060286-A Antiinflammatory hydroxamic acids and N-hydroxyurea PFIZER (US) 1992-04-15 — — CN disclosed
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