SCHEMBL6830683

SCHEMBL6830683

N#CCCN(CCC#N)CCC(=O)OCC#N

nearest known ligand 0.37

Predicted protein targets (top 7)

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
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL64627 0.85 MEN1 (0.31) MEN1KMT2A
SCHEMBL6830730 0.85 LCK (0.37) LCKMEN1KMT2ACASP1L3MBTL1
SCHEMBL6830406 0.83 CYP1A2 (0.32) MEN1KMT2A
SCHEMBL65778 0.81 TSHR (0.35) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL65499 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL64619 0.80 ALDH1A1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL64585 0.78
SCHEMBL9360783 0.77 ADRA2A (0.37) MEN1KMT2AALDH1A1
SCHEMBL65135 0.77 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL64197 0.75 MEN1 (0.32) MEN1KMT2A

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