SCHEMBL6881809

SCHEMBL6881809

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
DHODH Q02127 1/20 0.37
EP300 Q09472 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
WNT3A P56704 7/20 0.32
P2RX7 Q99572 1/20 0.32
PARP1 P09874 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6881805 1.00 HDAC4 (0.37) HDAC4DHODHEP300PRMT5WDR77
SCHEMBL6881811 1.00 HDAC4 (0.37) HDAC4DHODHEP300PRMT5WDR77
SCHEMBL6847910 0.81 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6847906 0.81 HDAC4 (0.39) HDAC4DHODHPRMT5WDR77WNT3A
SCHEMBL6869722 0.80 TRPV1 (0.43) L3MBTL1
SCHEMBL6869718 0.80 TRPV1 (0.43) L3MBTL1
SCHEMBL6869713 0.80 TRPV1 (0.43) L3MBTL1
SCHEMBL7029494 0.76 GPR119 (0.34) P2RX7
SCHEMBL7029497 0.76 GPR119 (0.34) P2RX7
SCHEMBL6869726 0.76 ADRB2 (0.43) 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