SCHEMBL2559002

SCHEMBL2559002

O=C(O)CCCNCc1ccccc1N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
GAA P10253 4/20 0.57
MEN1 O00255 3/20 0.57
FABP3 P05413 1/20 0.54
FABP4 P15090 1/20 0.54
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
LIPG Q9Y5X9 2/20 0.45
KCNQ2 O43526 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
GFER P55789 1/20 0.42
MC4R P32245 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR4 O95977 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41

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
SCHEMBL2558196 0.92 KMT2A (0.59) KMT2AGAAMEN1FABP3FABP4
SCHEMBL2558725 0.86 FABP3 (0.59) KMT2AGAAMEN1FABP3FABP4
SCHEMBL15330885 0.78 FABP3 (0.52) KMT2AGAAMEN1FABP3FABP4
SCHEMBL2936357 0.77 FABP3 (0.65) KMT2AGAAMEN1FABP3FABP4
SCHEMBL29956353 0.77 FABP3 (0.54) KMT2AGAAMEN1FABP3FABP4
SCHEMBL2555538 0.77 FABP3 (0.54) KMT2AGAAMEN1FABP3FABP4
SCHEMBL2755880 0.76 FABP3 (0.67) KMT2AGAAMEN1FABP3FABP4
SCHEMBL8683997 0.75 FABP3 (0.55) KMT2AGAAMEN1FABP3FABP4
Bromide SCHEMBL8998015 0.73 FABP3 (0.53) KMT2AGAAMEN1FABP3FABP4
Hydrochloric Acid SCHEMBL8891860 0.73 CHRM2 (0.63) KMT2AGAAMEN1KDM4EALDH1A1

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