SCHEMBL6877331

SCHEMBL6877331

OC/C(F)=C/c1ccc(-c2cccnn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
DHODH Q02127 1/20 0.37
EP300 Q09472 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
WNT3A P56704 7/20 0.32

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
SCHEMBL6877337 1.00 HDAC4 (0.37) HDAC4DHODHEP300PRMT5WDR77
SCHEMBL6877341 1.00 HDAC4 (0.37) HDAC4DHODHEP300PRMT5WDR77
SCHEMBL6848074 0.81 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6848069 0.81 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6848093 0.80 CYP1A2 (0.42) DHODH
SCHEMBL6848094 0.80 CYP1A2 (0.42) DHODH
SCHEMBL6848097 0.80 CYP1A2 (0.42) DHODH
SCHEMBL6851894 0.76 HDAC4 (0.43) HDAC4DHODHEP300PRMT5WDR77
SCHEMBL6851881 0.76 HDAC4 (0.43) HDAC4DHODHEP300PRMT5WDR77
SCHEMBL6879073 0.74 ADRB2 (0.42) HDAC4

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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed