SCHEMBL9568103

SCHEMBL9568103

N=C(N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OC4OC(=O)c5ccccc54)CC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
ST14 Q9Y5Y6 2/20 0.41
F2 P00734 2/20 0.41
F10 P00742 1/20 0.39
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
HTR2B P41595 2/20 0.38
PLG P00747 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 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
SCHEMBL9568108 0.82 POLB (0.38) SMN1; SMN2HTR2B
SCHEMBL9568120 0.78 PRSS1 (0.53) SMN1; SMN2PRSS1PRSS2PRSS3ST14
SCHEMBL9568192 0.78 PRSS1 (0.45) SMN1; SMN2PRSS1PRSS2PRSS3ST14
SCHEMBL9568110 0.78 ITGB3 (0.52) SMN1; SMN2PRSS1PRSS2PRSS3ST14
Hydrochloric Acid SCHEMBL9568180 0.78 PRSS1 (0.52) SMN1; SMN2PRSS1PRSS2PRSS3ST14
SCHEMBL9422701 0.78 ITGB3 (0.52) SMN1; SMN2PRSS1PRSS2PRSS3ST14
SCHEMBL9186836 0.77 ITGB3 (0.51) SMN1; SMN2PRSS1PRSS2PRSS3ST14
Hydrochloric Acid SCHEMBL9568112 0.77 ITGB3 (0.52) SMN1; SMN2PRSS1PRSS2PRSS3ST14
Hydrochloric Acid SCHEMBL9568100 0.77 ITGB3 (0.52) SMN1; SMN2PRSS1PRSS2PRSS3ST14
Hydrochloric Acid SCHEMBL9568150 0.77 ITGB3 (0.52) SMN1; SMN2PRSS1PRSS2PRSS3ST14

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