SCHEMBL8000689

SCHEMBL8000689

COc1ccc(-n2nnc(C)n2)cc1/C=C/CC(C)(C)Cc1nnc(C)o1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.32
BRD9 Q9H8M2 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
SCHEMBL8009964 0.86 ENPP2 (0.34) ENPP2BRD9
SCHEMBL8010307 0.85 ENPP2 (0.34) ENPP2BRD9
SCHEMBL8015115 0.83 ENPP2 (0.34) ENPP2
SCHEMBL8005853 0.82 ENPP2 (0.33) ENPP2
SCHEMBL8000685 0.81 ALDH1A1 (0.35)
SCHEMBL10260304 0.80
SCHEMBL8014614 0.79 ENPP2 (0.32) ENPP2
SCHEMBL10292773 0.79
SCHEMBL8009811 0.79 ACLY (0.35)
SCHEMBL8008288 0.76 ALDH1A1 (0.31)

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
WO-2009134987-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed