SCHEMBL6563779

SCHEMBL6563779

CCOC(=O)CC1CCCN1C(=O)c1ccc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
GABRA1 P14867 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
ITGB3 P05106 8/20 0.35
ITGA2B P08514 8/20 0.35
PTPN11 Q06124 1/20 0.33
HSD11B1 P28845 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6565371 0.94 KCNK3 (0.34) KCNK3MEN1KMT2ARAB9AGABRA1
SCHEMBL7676439 0.92 HSD11B1 (0.32) KCNK3MEN1KMT2AITGB3ITGA2B
SCHEMBL6565417 0.87 PTPN11 (0.36) KCNK3PTPN11HSD11B1GAA
SCHEMBL6561984 0.86 MEN1 (0.40) KCNK3MEN1KMT2ARAB9AGABRA1
SCHEMBL6563725 0.86 GAA (0.33) MEN1KMT2APTPN11GAASMN1; SMN2
SCHEMBL6565533 0.83 ACACB (0.45) MEN1KMT2ARAB9APTPN11HSD11B1
SCHEMBL6561843 0.83 GAA (0.31) MEN1KMT2AITGB3ITGA2BPTPN11
SCHEMBL6563511 0.82 PTPN11 (0.40) PTPN11HSD11B1
SCHEMBL6563364 0.81 ITGB3 (0.36) KCNK3MEN1KMT2ARAB9AGABRA1
SCHEMBL6565215 0.81 PIK3CA (0.38) PTPN11

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