SCHEMBL17836995

SCHEMBL17836995

[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
MGMT P16455 1/20 0.38
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.31
CRBN Q96SW2 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
SCHEMBL31395761 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL13554631 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL16437097 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL13498593 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL16899909 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL14763470 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL18576097 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL13449860 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL16899883 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT
SCHEMBL31577560 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1MGMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352625-A1 MUTANTS OF COCAINE ESTERASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-11-21 US claimed
US-10160960-B2 Mutants of cocaine esterase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-12-25 US claimed
US-20160177277-A1 MUTANTS OF COCAINE ESTERASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-06-23 US claimed
WO-2025031923-A1 IMIDAZO[4,5-D]PYRIDAZINE COMPOUNDS AND CONJUGATES THEREOF, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATIONS SANOFI (FR) 2025-02-13 WO disclosed
US-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 US disclosed
US-20210174983-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC 2021-06-10 US disclosed
US-20190352625-A1 MUTANTS OF COCAINE ESTERASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-11-21 US disclosed
US-10160960-B2 Mutants of cocaine esterase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-12-25 US disclosed
US-20160177277-A1 MUTANTS OF COCAINE ESTERASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-06-23 US disclosed