SCHEMBL6561924

SCHEMBL6561924

CCOC(=O)/C=C/c1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.36
PRSS1 P07477 6/20 0.36
ACACB O00763 1/20 0.36
F2 P00734 6/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
PLG P00747 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6565560 1.00 F10 (0.36) F10PRSS1ACACBF2RAB9A
SCHEMBL6564209 0.89 F10 (0.36) F10PRSS1ACACBF2PRSS2
SCHEMBL6564205 0.89 F10 (0.36) F10PRSS1ACACBF2PRSS2
SCHEMBL6563597 0.85 F10 (0.38) F10PRSS1ACACBF2PRSS2
SCHEMBL6561958 0.83 ACACB (0.49) F10PRSS1ACACBF2PRSS2
SCHEMBL6561849 0.83 F10 (0.37) F10PRSS1ACACBF2RAB9A
SCHEMBL6561838 0.81 F10 (0.36) F10PRSS1ACACBF2RAB9A
SCHEMBL6563220 0.81 HPGD (0.44) F10PRSS1ACACBHPGDL3MBTL1
SCHEMBL6565351 0.81 F10 (0.44) F10PRSS1ACACBF2PRSS2
SCHEMBL6563672 0.81 ACACB (0.38) F10PRSS1ACACBF2RAB9A

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
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed