SCHEMBL28052255

SCHEMBL28052255

Cc1cnn(Cc2ccc(Cc3n[nH]cc3CCOC=O)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.36
KLK1 P06870 9/20 0.35

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
SCHEMBL19668245 0.74 KLKB1 (0.45) KLKB1KLK1
SCHEMBL28052335 0.73 CYP11B1 (0.42) KLKB1KLK1
SCHEMBL16486803 0.70 KLKB1 (0.48) KLKB1KLK1
SCHEMBL28052788 0.69 KLKB1 (0.47) KLKB1KLK1
SCHEMBL28071587 0.67 ALDH1A1 (0.38)
SCHEMBL14671613 0.67 LMNA (0.39) KLKB1KLK1
SCHEMBL15759268 0.66 KLKB1 (0.51) KLKB1KLK1
SCHEMBL28013163 0.66
SCHEMBL28516700 0.66
SCHEMBL19513505 0.65 KLKB1 (0.52) KLKB1

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
CN-105452240-A Heterocyclic derivates KALVISTA PHARMACEUTICALS LTD 2016-03-30 CN disclosed