SCHEMBL27612981

SCHEMBL27612981

O/C=C(\F)Cc1ccc(-c2cccnn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 14/20 0.42
▸ HDAC4 P56524 2/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ EP300 Q09472 2/20 0.35
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL27613083 0.80 CYP1A2 (0.42) WNT3A
SCHEMBL6215593 0.75 MKNK1 (0.50) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL27612787 0.75 HDAC4 (0.39) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL27594249 0.74 ADRB2 (0.50) WNT3AHDAC4
SCHEMBL27613089 0.74 MKNK1 (0.58) WNT3A
SCHEMBL27612999 0.74 CYP17A1 (0.42) WNT3A
SCHEMBL6877341 0.73 HDAC4 (0.37) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL6877337 0.73 HDAC4 (0.37) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL6877331 0.73 HDAC4 (0.37) WNT3AHDAC4DHODHEP300PRMT5
SCHEMBL27612894 0.73 CYP2D6 (0.43) WNT3AHDAC4

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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