SCHEMBL3836773

SCHEMBL3836773

CCCCOC(=O)N(c1ccc(C#N)cc1)c1nc(C=CN(C)C)c([N+](=O)[O-])c(Oc2c(C)cc(Br)cc2C)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL3836769 1.00 MAPT (0.33) MAPTALDH1A1
SCHEMBL4098274 0.87 ALDH1A1 (0.35) MAPTALDH1A1
SCHEMBL4098275 0.87 ALDH1A1 (0.35) MAPTALDH1A1
SCHEMBL10195624 0.76 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL4111714 0.76 CYP2C9 (0.51) MAPTALDH1A1
SCHEMBL4111710 0.76 CYP2C9 (0.51) MAPTALDH1A1
SCHEMBL4100792 0.74 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL4100796 0.74 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL12236287 0.67 KCNH2 (0.40)
SCHEMBL12873334 0.63 KCNH2 (0.36)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220091-A2 REVERSE TRANSCRIPTASE INHIBITORS Ardea Biosciences, Inc. (US) 2010-08-25 EP disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 WO disclosed