SCHEMBL8476643

SCHEMBL8476643

Cc1cc(OCC2(C=O)CC2)cc(OS(=O)(=O)c2ccccc2C#N)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.73
CTRC Q99895 3/20 0.41
PRSS2 P07478 3/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL6924689 0.87 F2 (0.66) F2CTRCPRSS2F10
SCHEMBL6747836 0.84 F2 (0.63) F2CTRCPRSS2F10
SCHEMBL6745802 0.84 F2 (0.65) F2CTRCPRSS2F10
SCHEMBL6749637 0.83 F2 (0.64) F2CTRCPRSS2F10
SCHEMBL5672845 0.81 F2 (0.71) F2CTRCPRSS2
SCHEMBL5674601 0.79 F2 (0.70) F2CTRCPRSS2F10
SCHEMBL6754691 0.79 F2 (0.57) F2CTRCPRSS2F10
SCHEMBL5672793 0.78 F2 (0.73) F2CTRCPRSS2
SCHEMBL8482323 0.78 F2 (0.53) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL6926945 0.77 F2 (0.71) F2CTRCPRSS2

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
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed