SCHEMBL6563932

SCHEMBL6563932

Cc1cc(C(=O)N(C)c2ccccc2)c(C)cc1C#CCNc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
PLAU P00749 1/20 0.34
ACACB O00763 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
PTPN11 Q06124 1/20 0.32
PTGES O14684 1/20 0.32
TSHR P16473 1/20 0.32
KLKB1 P03952 1/20 0.31
NR1H3 Q13133 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6563537 0.92 PLAU (0.38) HTTPLAUACACBSIRT2PTPN11
SCHEMBL6563229 0.92 PLAU (0.37) HTTPLAUACACBSIRT2PTPN11
SCHEMBL6565352 0.90 PTPN11 (0.33) PTPN11
SCHEMBL6565367 0.90 TSHR (0.31) PLAUTSHRKMT2AMEN1
SCHEMBL6565278 0.89 PTPN11 (0.33) PTPN11
SCHEMBL6563093 0.88 NQO2 (0.32) KMT2AMEN1
SCHEMBL6565305 0.87 AAK1 (0.33) PTPN11PTGES
SCHEMBL6565350 0.86 HPGD (0.33) PTPN11PTGESKMT2AMEN1
SCHEMBL6565309 0.84 PTPN11 (0.34) PTPN11
SCHEMBL6563741 0.83 AAK1 (0.35) PTPN11PTGES

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