SCHEMBL8221645

SCHEMBL8221645

O=c1[nH]ncc(N2Cc3ccccc3C2)c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 19/20 0.65
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10664047 0.80 JAK2 (0.47) TIPARPALDH1A1
SCHEMBL21521232 0.79 TIPARP (0.68) TIPARPALDH1A1
SCHEMBL21521967 0.79 TIPARP (1.00) TIPARPALDH1A1
SCHEMBL21538438 0.75 TIPARP (1.00) TIPARP
SCHEMBL21521792 0.75 TIPARP (0.76) TIPARP
SCHEMBL31244851 0.75 TIPARP (0.76) TIPARP
SCHEMBL20831407 0.71 TRPC5 (0.79)
SCHEMBL8212288 0.71 AKT1 (0.53) ALDH1A1
SCHEMBL10981794 0.69 AKT1 (0.52) ALDH1A1
SCHEMBL2511846 0.69 LMNA (0.47) ALDH1A1

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-2008019266-A2 ACYCLIC, PYRIDAZINONE-DERIVED HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed