SCHEMBL9568138

SCHEMBL9568138

N=C(N)c1ccc(-c2ccc(C(=O)NC3CCC(C(=O)OC4CCN(C(=O)OCc5ccccc5)CC4)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
PLG P00747 3/20 0.53
TPSAB1 Q15661 3/20 0.53
F2 P00734 3/20 0.53
TPSD1 Q9BZJ3 2/20 0.53
TPSG1 Q9NRR2 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
CYP2C19 P33261 1/20 0.49
ST14 Q9Y5Y6 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ENPP2 Q13822 4/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMYD3 Q9H7B4 2/20 0.42
ATXN2 Q99700 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
SCHEMBL9568143 1.00 PRSS1 (0.53) PRSS1PRSS2PRSS3PLGTPSAB1
SCHEMBL9568212 0.89 SMN1; SMN2 (0.45) PRSS1PRSS2PRSS3PLGTPSAB1
SCHEMBL9568207 0.89 SMN1; SMN2 (0.45) PRSS1PRSS2PRSS3PLGTPSAB1
SCHEMBL9568104 0.83 SMN1; SMN2 (0.48) PRSS1PRSS2PRSS3PLGTPSAB1
SCHEMBL9568080 0.81 SCN1A (0.46) PRSS1PRSS2PRSS3PLGTPSAB1
SCHEMBL9568078 0.81 SCN1A (0.46) PRSS1PRSS2PRSS3PLGTPSAB1
SCHEMBL9568226 0.77 F2 (0.53) PRSS1PRSS2PRSS3PLGTPSAB1
Hydrochloric Acid SCHEMBL9568149 0.76 MEN1 (0.45) PRSS1PRSS2PRSS3PLGTPSAB1
SCHEMBL12879090 0.75 SMN1; SMN2 (0.68) PRSS1PRSS2PRSS3PLGTPSAB1
SCHEMBL4197556 0.74 SMN1; SMN2 (0.67) PRSS1PRSS2PRSS3PLGTPSAB1

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