SCHEMBL6563410

SCHEMBL6563410

Cc1cc(C(=O)N2CCCC2C)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 2/20 0.39
NAMPT P43490 2/20 0.38
HSD11B1 P28845 1/20 0.38
F2 P00734 4/20 0.37
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 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
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
TRPC3 Q13507 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
SCHEMBL6564299 0.91 GAA (0.36) GAAALDH1A1HPGDNAMPTHSD11B1
SCHEMBL6565356 0.90 GAA (0.42) GAAALDH1A1HPGDNAMPTHSD11B1
SCHEMBL6565512 0.88 GAA (0.40) GAAALDH1A1HPGDNAMPTHSD11B1
SCHEMBL6561673 0.88 PRSS1 (0.35) GAAALDH1A1HPGDNAMPTHSD11B1
SCHEMBL6563662 0.85 F10 (0.41) GAAHPGDF2F10PRSS1
SCHEMBL6563839 0.85 PLAU (0.39) F2F10PRSS1PLAUHPN
SCHEMBL6563752 0.84 GAA (0.35) GAAALDH1A1HPGDNAMPTHSD11B1
SCHEMBL6561970 0.83 GAA (0.49) GAAALDH1A1HPGDNAMPTHSD11B1
SCHEMBL6563266 0.82 LRRK2 (0.42) GAAALDH1A1HPGDNAMPTHSD11B1
SCHEMBL7806863 0.82 HRH3 (0.35) GAAALDH1A1HPGDNAMPTHSD11B1

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 5 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 claimed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US claimed
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
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed