SCHEMBL2561048

SCHEMBL2561048

[C-]#[N+]c1ccc(CC#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ENPP2 Q13822 1/20 0.33
TNF P01375 1/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
MMP3 P08254 1/20 0.32
GAA P10253 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL2154504 0.80 KMT2A (0.47) KMT2AKDM4ETDP1L3MBTL1ENPP2
SCHEMBL12355406 0.77 KMT2A (0.37) KMT2AKDM4ETDP1L3MBTL1ENPP2
SCHEMBL23137321 0.72 MMP3 (0.50) KMT2AKDM4ETDP1L3MBTL1ENPP2
SCHEMBL196175 0.72 MMP3 (0.50) KMT2AKDM4ETDP1L3MBTL1ENPP2
SCHEMBL8763328 0.72 KMT2A (0.42) KMT2AKDM4ETDP1L3MBTL1ENPP2
SCHEMBL31258 0.70 LPL (0.45) KMT2AKDM4ETDP1L3MBTL1PKM
SCHEMBL9197674 0.70 KMT2A (0.38) KMT2AKDM4ETDP1L3MBTL1ENPP2
SCHEMBL12401894 0.70 KMT2A (0.33) KMT2AKDM4ETDP1L3MBTL1
SCHEMBL13201375 0.69 TSHR (0.43) TDP1
SCHEMBL249189 0.69 LOXL2 (0.58) MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-20120142063-A1 NITRILASE BIOCATALYSTS Codexis ,Inc. (US) 2012-06-07 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed