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SCHEMBL6764565

SCHEMBL6764565

Cc1cc(OCCCONC(=N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(c3ncccn3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.44
▸ CTRC Q99895 4/20 0.43
▸ PRSS2 P07478 4/20 0.40
▸ F10 P00742 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6749897 0.87 F2 (0.50) F2CTRCPRSS2F10ALDH1A1
Hydrochloric Acid SCHEMBL6747626 0.86 F2 (0.49) F2CTRCPRSS2F10ALDH1A1
SCHEMBL6749445 0.86 F2 (0.39) F2CTRCPRSS2F10ALDH1A1
Hydrochloric Acid SCHEMBL7928497 0.85 F2 (0.39) F2CTRCPRSS2F10ALDH1A1
SCHEMBL6751458 0.81 F2 (0.59) F2CTRCPRSS2F10
SCHEMBL6745857 0.80 F2 (0.49) F2CTRCPRSS2F10ALDH1A1
Hydrochloric Acid SCHEMBL6750158 0.79 F2 (0.48) F2CTRCPRSS2F10ALDH1A1
SCHEMBL6749901 0.79 F2 (0.67) F2PRSS2
Hydrochloric Acid SCHEMBL6747629 0.78 F2 (0.66) F2PRSS2
SCHEMBL7069370 0.78 F2 (0.43) F2CTRCPRSS2F10

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-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 — — US disclosed