SCHEMBL9568223

SCHEMBL9568223

COc1ccc(-c2ccc(C(=N)N)cc2)cc1C(=O)N[C@H]1CC[C@H](C(=O)OCOC(=O)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 10/20 0.40
PRSS1 P07477 9/20 0.40
F2 P00734 8/20 0.40
PRSS2 P07478 7/20 0.40
PRSS3 P35030 7/20 0.40
PLG P00747 3/20 0.40
CFTR P13569 1/20 0.40
KDM1A O60341 1/20 0.39
MAPK14 Q16539 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PDE4B Q07343 3/20 0.39
TMPRSS15 P98073 2/20 0.38
F10 P00742 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL9568220 1.00 ST14 (0.40) ST14PRSS1F2PRSS2PRSS3
SCHEMBL8410171 0.86 CFTR (0.48) ST14PRSS1F2PRSS2PRSS3
SCHEMBL8410563 0.85 KDM1A (0.48) ST14PRSS1F2PRSS2PRSS3
SCHEMBL9568147 0.84 ALDH1A1 (0.41)
SCHEMBL9568142 0.84 ALDH1A1 (0.41)
SCHEMBL9568200 0.84 F2 (0.44) ST14PRSS1F2PRSS2PRSS3
SCHEMBL9568196 0.84 F2 (0.44) ST14PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL9568164 0.83 F2 (0.43) ST14PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL9568153 0.83 ST14 (0.40) ST14PRSS1F2PRSS2PRSS3
SCHEMBL9568084 0.81 F2 (0.46) ST14PRSS1F2PRSS2PRSS3

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
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed