SCHEMBL27594201

SCHEMBL27594201

O/C=C\C(F)c1ccc(-c2ccncn2)s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30

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
SCHEMBL27594327 0.81 KDM4E (0.51) ALOX5HSP90AA1
SCHEMBL27594332 0.81 HDAC3 (0.40) —
SCHEMBL27612911 0.78 HDAC1 (0.40) ALOX5
SCHEMBL27594326 0.77 CYP3A4 (0.35) —
SCHEMBL27594333 0.77 WRN (0.32) —
SCHEMBL27613073 0.74 CYP2A6 (0.47) —
SCHEMBL27613063 0.74 HDAC4 (0.43) —
SCHEMBL4008739 0.70 MAPT (0.48) HSP90AA1
SCHEMBL18331590 0.66 HSP90AA1 (0.41) HSP90AA1
SCHEMBL6852263 0.65 KDM4E (0.36) HSP90AA1

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-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN disclosed
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