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SCHEMBL7188554

SCHEMBL7188554

CCC(Oc1cc(C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)ON(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 10/20 0.36
▸ F10 P00742 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ CTRC Q99895 1/20 0.32

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
SCHEMBL6888564 0.91 NPC1 (0.39) F2LMNASMN1; SMN2
SCHEMBL6884082 0.91 ALDH1A1 (0.37) F2F10PRSS2LMNAMCL1
SCHEMBL6890192 0.90 MAPK1 (0.37) F2F10PRSS2LMNASMN1; SMN2
SCHEMBL6888647 0.86 F2 (0.39) F2F10PRSS2ATMLMNA
SCHEMBL7931212 0.85 F2 (0.40) F2F10PRSS2LMNASMN1; SMN2
SCHEMBL6752905 0.78 F2 (0.41) F2F10PRSS2CTRC
SCHEMBL6749445 0.77 F2 (0.39) F2F10PRSS2SMN1; SMN2CTRC
SCHEMBL6747439 0.77 F2 (0.41) F2F10PRSS2CTRC
Hydrochloric Acid SCHEMBL7928497 0.77 F2 (0.39) F2F10PRSS2SMN1; SMN2CTRC
Hydrochloric Acid SCHEMBL7934197 0.77 F2 (0.41) F2F10PRSS2CTRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 — — US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 — — US disclosed