SCHEMBL2558090

SCHEMBL2558090

O=C/C(=N/Nc1ccc(F)cc1)C(=O)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 6/20 0.56
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
TAAR1 Q96RJ0 1/20 0.45
LTA4H P09960 1/20 0.45
GAA P10253 4/20 0.42
GFER P55789 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GRK2 P25098 1/20 0.40
PTGS2 P35354 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL2558093 1.00 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL15332098 0.86 MAPT (0.74) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL15332096 0.86 MAPT (0.74) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2555108 0.86 MAPT (0.56) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2555107 0.86 MAPT (0.56) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2557682 0.86 MAPT (0.55) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL2557680 0.86 MAPT (0.55) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL2556704 0.74 MAPT (0.64) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2556700 0.74 MAPT (0.64) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3053668 0.71 LTA4H (0.76) ALDH1A1KDM4EKMT2AMEN1L3MBTL1

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 7 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
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed