SCHEMBL27612928

SCHEMBL27612928

O/C=C\C(F)c1ccc(-c2cccnn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.44
▸ DHODH Q02127 1/20 0.37
▸ EP300 Q09472 2/20 0.33
▸ WNT3A P56704 5/20 0.32
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 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
SCHEMBL27594463 0.80 OPRD1 (0.40) DHODH
SCHEMBL27612861 0.76 HSD11B1 (0.34) —
SCHEMBL27612793 0.74 HDAC4 (0.40) HDAC4
SCHEMBL27594311 0.74 CYP2A6 (0.47) —
SCHEMBL27594259 0.74 CYP17A1 (0.42) HDAC4
SCHEMBL27613063 0.73 HDAC4 (0.43) HDAC4
SCHEMBL27594291 0.71 CYP1A2 (0.38) —
SCHEMBL8138043 0.69 MAPT (0.56) HDAC4DHODH
SCHEMBL3458918 0.69 NPY5R (0.47) HDAC4DHODH
SCHEMBL27612787 0.69 HDAC4 (0.39) HDAC4DHODHEP300WNT3APRMT5

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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