SCHEMBL6565428

SCHEMBL6565428

Cc1ccc(C(=O)N(C)c2ccccn2)cc1C#CCNc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NQO2 P16083 2/20 0.34
HCRTR2 O43614 1/20 0.34
KIT P10721 3/20 0.34
SLC22A2 O15244 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
PROC P04070 1/20 0.33
HPN P05981 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
SLC47A2 Q86VL8 1/20 0.33

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
SCHEMBL6563093 0.93 NQO2 (0.32) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL6563537 0.88 PLAU (0.38) KMT2APTPN11ACACBNPC1TSHR
SCHEMBL6563517 0.85 F2 (0.45) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL6565333 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6565269 0.82 ALDH1A1 (0.45) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL6561961 0.82 MLYCD (0.39) PTPN11ACACBNPC1RAB9A
SCHEMBL6563708 0.82 NQO2 (0.50) MEN1KMT2AMAPK1ALDH1A1GAA
SCHEMBL6563229 0.82 PLAU (0.37) KMT2AALDH1A1PTPN11ACACBNPC1
SCHEMBL6565492 0.80 CNR2 (0.39) MEN1KMT2AALDH1A1GAAPTPN11
SCHEMBL6563932 0.80 HTT (0.34) MEN1KMT2APTPN11ACACBNPC1

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