SCHEMBL6830730

SCHEMBL6830730

N#CCCOC(=O)CCN(CCC#N)CCC#N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CASP1 P29466 1/20 0.32
DNM1 Q05193 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL64197 0.89 MEN1 (0.32) MEN1KMT2ADNM1MAPT
SCHEMBL6831253 0.87 MEN1 (0.33) MEN1KMT2ADNM1ADRA2AADRA1A
SCHEMBL65126 0.86 MEN1 (0.34) MEN1KMT2ADNM1ADRA2AADRA1A
SCHEMBL65099 0.86 CDYL (0.39) MEN1KMT2ACASP1DNM1ADRA2A
SCHEMBL6830683 0.85 LCK (0.37) LCKMEN1KMT2ACASP1NPC1
SCHEMBL65478 0.85 ALDH1A1 (0.36) MEN1KMT2ADNM1ADRA2AADRA1A
SCHEMBL65370 0.84 CASP1 (0.31) CASP1
SCHEMBL10011229 0.82 ADRA2A (0.44) MEN1KMT2ADNM1ADRA2AADRA1A
SCHEMBL64170 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL2969886 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743564-B2 A POSITIVE RESIST FORMULATION CONSISTS OF NITRILE CONTAINING TERT-AMINE COMPOUND, AN ORGANIC SOLVENT AND A BASE RESIN HAVING AN ACIDIC FUNCTIONAL GROUP WHICH IS PROTECTED WITH AN ACID LABILE GROUP, A PHOTOACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-06-01 US claimed
US-6743564-B2 A POSITIVE RESIST FORMULATION CONSISTS OF NITRILE CONTAINING TERT-AMINE COMPOUND, AN ORGANIC SOLVENT AND A BASE RESIN HAVING AN ACIDIC FUNCTIONAL GROUP WHICH IS PROTECTED WITH AN ACID LABILE GROUP, A PHOTOACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020115018-A1 Amine compounds, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-08-22 US disclosed