SCHEMBL1355673

SCHEMBL1355673

CCOc1cc2c3c(ccc(OCC)c3c1)C(=O)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAOA P21397 10/20 0.40
MAOB P27338 10/20 0.40
ADORA3 P0DMS8 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.37
MAPT P10636 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36

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
SCHEMBL11411139 0.78 MAOA (0.61) MEN1KMT2AMAOAMAOBTSHR
SCHEMBL5747221 0.75 NPSR1 (0.55) MEN1KMT2AMAOAMAOBSMN1; SMN2
SCHEMBL6291971 0.74 GSK3B (0.44) MEN1KMT2AMAOAMAOBADORA3
SCHEMBL11344636 0.72 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL1356332 0.72 TERT (0.53) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL11670022 0.70 MEN1 (0.48) MEN1KMT2AMAOAMAOBTSHR
SCHEMBL17726809 0.70 KMT2A (0.50) MEN1KMT2AHPGDCASP3MAPT
SCHEMBL11518444 0.66 MAOA (0.66) MEN1KMT2AMAOAMAOBTSHR
SCHEMBL7284252 0.66 MAOA (0.63) MEN1KMT2AMAOAMAOBTSHR
SCHEMBL11638992 0.66 ATG4B (0.51) MEN1KMT2ASMN1; SMN2HPGDCASP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518964-B2 Method for identifying electrophiles and nucleophiles in a sample EICHEN YOAV (IL) 2016-12-13 US disclosed
US-20110281742-A1 METHOD FOR IDENTIFYING ELECTROPHILES AND NUCLEOPHILES IN A SAMPLE EICHEN YOAV (IL) 2011-11-17 US disclosed
US-20090305429-A1 Method for Detecting Alkylating Agents TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2009-12-10 US disclosed
US-20090258430-A1 Method for identifying electrophiles and nucleophiles in a sample TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2009-10-15 US disclosed
EP-2085766-A2 Method for identifying electrophiles and nucleophiles in a sample Technion Research and Development Foundation, Ltd. (IL) 2009-08-05 EP disclosed
WO-2007074461-A1 METHOD FOR DETECTING ALKYLATING AGENTS TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2007-07-05 WO disclosed