SCHEMBL6563229

SCHEMBL6563229

Cc1cc(C(=O)N(C)c2ccccc2)ccc1C#CCNc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.37
HTT P42858 1/20 0.35
ACACB O00763 2/20 0.34
PTPN11 Q06124 1/20 0.33
PTGES O14684 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
NR1H3 Q13133 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
KLKB1 P03952 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
ALDH1A1 P00352 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 0.94 PLAU (0.38) PLAUHTTACACBPTPN11PTGES
SCHEMBL6563932 0.92 HTT (0.34) PLAUHTTACACBPTPN11PTGES
SCHEMBL6565367 0.85 TSHR (0.31) PLAUTSHRKMT2A
SCHEMBL6565333 0.83 MEN1 (0.40) HTTACACBPTGESTSHRKMT2A
SCHEMBL6565690 0.82 PLAU (0.54) PLAUHTTSIRT2KLKB1NPC1
SCHEMBL6565352 0.82 PTPN11 (0.33) PTPN11
SCHEMBL6565428 0.82 MEN1 (0.34) ACACBPTPN11TSHRNPC1RAB9A
SCHEMBL6561961 0.82 MLYCD (0.39) ACACBPTPN11PTGESNPC1RAB9A
SCHEMBL6565278 0.81 PTPN11 (0.33) PTPN11
SCHEMBL6563568 0.80 CNR2 (0.39) HTTTSHRKMT2A

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