SCHEMBL27612911

SCHEMBL27612911

O/C=C\C(F)c1ccc(-c2ncccn2)s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.40
▸ ALOX5 P09917 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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 0.85 KDM4E (0.51) HDAC1ALOX5KDM4ENPC1GLA
SCHEMBL27594332 0.78 HDAC3 (0.40) HDAC1KDM4EMAPT
SCHEMBL27594201 0.78 ALOX5 (0.30) ALOX5
SCHEMBL27613073 0.78 CYP2A6 (0.47) HDAC1
SCHEMBL19227845 0.74 HDAC1 (0.47) HDAC1ALOX5KDM4ENPC1GLA
SCHEMBL27594333 0.74 WRN (0.32) —
SCHEMBL27612907 0.71 — —
SCHEMBL27612793 0.69 HDAC4 (0.40) NPC1RAB9A
SCHEMBL27612769 0.65 HDAC1 (0.45) HDAC1KDM4ENPC1GLAMAPT
SCHEMBL20267150 0.64 HDAC1 (0.47) HDAC1KDM4ENPC1GLAMAPT

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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