SCHEMBL6563753

SCHEMBL6563753

Cc1cc(C#CCBr)ccc1C(=O)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.56
HPGD P15428 8/20 0.46
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
LMNA P02545 1/20 0.40
PLA2G7 Q13093 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EED O75530 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 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
SCHEMBL5885873 0.88 ACACB (0.57) ACACBHPGDHTTTSHRGAA
SCHEMBL5885712 0.85 ACACB (0.54) ACACBHPGDHTTTSHRGAA
SCHEMBL5885715 0.82 ACACB (0.59) ACACBHPGDHTTTSHRGAA
SCHEMBL11998367 0.80 ACACB (0.55) ACACBHPGDHTTTSHRGAA
SCHEMBL5885709 0.80 ACACB (0.60) ACACBHPGDHTTTSHRGAA
SCHEMBL6556808 0.79 ACACB (0.53) ACACBHPGDHTTTSHRGAA
SCHEMBL256029 0.79 ACACB (0.53) ACACBHPGDHTTTSHRGAA
SCHEMBL6563806 0.79 ACACB (0.52) ACACBHPGDHTTKMT2AMEN1
SCHEMBL6563697 0.77 ACACB (0.50) ACACBHPGDHTTKMT2AL3MBTL1
SCHEMBL6563935 0.77 ACACB (0.48) ACACBHPGD

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