SCHEMBL6565512

SCHEMBL6565512

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD11B1 P28845 1/20 0.40
HPGD P15428 2/20 0.40
NAMPT P43490 2/20 0.39
F2 P00734 3/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ACACB O00763 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6563261 0.91 HSD11B1 (0.38) GAAALDH1A1HSD11B1HPGDNAMPT
SCHEMBL6561970 0.89 GAA (0.49) GAAALDH1A1HSD11B1HPGDNAMPT
SCHEMBL6563696 0.89 HPGD (0.37) GAAALDH1A1HSD11B1HPGDNAMPT
SCHEMBL6563410 0.88 GAA (0.40) GAAALDH1A1HSD11B1HPGDNAMPT
SCHEMBL6565424 0.88 ITGB3 (0.42) HSD11B1F2PRSS1
SCHEMBL6564957 0.86 F2 (0.38) HSD11B1F2F10PRSS1PLAU
SCHEMBL7669679 0.86 F2 (0.37) GAAALDH1A1HSD11B1HPGDNAMPT
SCHEMBL6561958 0.85 ACACB (0.49) HPGDF2F10PRSS1PLAU
SCHEMBL6565356 0.85 GAA (0.42) GAAALDH1A1HSD11B1HPGDNAMPT
SCHEMBL6561984 0.85 MEN1 (0.40) GAAHSD11B1F2F10PRSS1

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed