SCHEMBL9754203

SCHEMBL9754203

CNC(=O)N(O)c1ccc2c(c1)CCCN2Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.46
▸ HDAC6 Q9UBN7 8/20 0.46
▸ CHRM2 P08172 1/20 0.39
▸ HDAC3 O15379 4/20 0.38
▸ HDAC4 P56524 3/20 0.38
▸ HDAC7 Q8WUI4 3/20 0.38
▸ HDAC11 Q96DB2 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC9 Q9UKV0 3/20 0.38
▸ HDAC5 Q9UQL6 3/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC2 Q92769 3/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ BDKRB1 P46663 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KCNQ2 O43526 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
SCHEMBL9029844 0.82 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL27447114 0.81 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL27424435 0.79 TNF (0.47) ACHE
SCHEMBL27363198 0.78 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL9207495 0.78 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL27363199 0.76 ACHE (0.42) ACHE
SCHEMBL9596572 0.75 HDAC1 (0.45) HDAC1HDAC6CHRM2HDAC3HDAC4
SCHEMBL8778036 0.71 PTGER4 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL27539768 0.71 ACHE (0.40) ACHE
SCHEMBL18414324 0.70 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7

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-1991016298-A1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS PFIZER INC (US) 1991-10-31 — — WO disclosed
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