SCHEMBL6895779

SCHEMBL6895779

CC(C)c1ccccc1COc1cc(CC2=C(O)C(=O)NC2)ncn1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.32
NAE1 Q13564 1/20 0.31
UBA3 Q8TBC4 1/20 0.31
ADAM17 P78536 1/20 0.31
NISCH Q9Y2I1 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
SCHEMBL754125 0.72 LIPG (0.33) ADAM17
SCHEMBL3912788 0.60 LMNA (0.44) NAE1UBA3
SCHEMBL8520375 0.59 NPC1 (0.42)
SCHEMBL14706951 0.58 LMNA (0.46) ADAM17
SCHEMBL12141876 0.58 GABRA1 (0.41)
SCHEMBL1085868 0.58 GABRA1 (0.45) NISCH
SCHEMBL7771649 0.57 GABRA1 (0.43) NISCH
SCHEMBL24503486 0.57 NPC1 (0.42)
SCHEMBL10583241 0.56 ALDH1A1 (0.52)
SCHEMBL9968895 0.56 GABRA1 (0.41) NISCH

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
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed