SCHEMBL7129663

SCHEMBL7129663

CC(C)(C)OC(=O)c1cc(C#N)ccc1[AsH]C(=O)c1onc2cc(N)ccc12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 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
SCHEMBL7065102 0.84 AR (0.30)
SCHEMBL6818784 0.82 PDE10A (0.34) ABCB1
SCHEMBL6818724 0.74 PDE10A (0.34) ABCB1
SCHEMBL6818372 0.72 F10 (0.34) ABCB1
SCHEMBL6833230 0.71 HIF1A (0.37)
SCHEMBL7131039 0.70 MCL1 (0.39)
SCHEMBL7064643 0.70 MAOB (0.41)
SCHEMBL6822117 0.69 HIF1A (0.37)
SCHEMBL6819112 0.69 ABCB1 (0.33) ABCB1
SCHEMBL6353385 0.68 ABCB1 (0.39) ABCB1

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed