SCHEMBL6563662

SCHEMBL6563662

Cc1cc(C(=O)N2CCCC2)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.41
PRSS1 P07477 5/20 0.41
F2 P00734 5/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
ACACB O00763 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL5885236 0.90 F10 (0.44) F10PRSS1HPGDTSHRKMT2A
Hydrochloric Acid SCHEMBL5885871 0.89 F10 (0.44) F10PRSS1HPGDTSHRKMT2A
SCHEMBL7671074 0.89 F10 (0.43) F10PRSS1F2PRSS2PRSS3
SCHEMBL6563617 0.86 PIK3CA (0.37) F10PRSS1F2PRSS2PRSS3
SCHEMBL6561958 0.86 ACACB (0.49) F10PRSS1F2PRSS2PRSS3
SCHEMBL6563839 0.86 PLAU (0.39) F10PRSS1F2PRSS2PRSS3
SCHEMBL6563410 0.85 GAA (0.40) F10PRSS1F2HPGDTSHR
SCHEMBL6561938 0.82 ABL1 (0.36) F10HPGDTSHRL3MBTL3L3MBTL1
SCHEMBL6561829 0.81 F2 (0.40) F10PRSS1F2PRSS2PRSS3
SCHEMBL7672248 0.81 F2 (0.40) F10PRSS1F2PRSS2PRSS3

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