SCHEMBL2556855

SCHEMBL2556855

CC1CN(c2nc3ccccn3c(=O)c2C=O)CC(C)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 1.00
L3MBTL1 Q9Y468 4/20 0.69
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 7/20 0.65
HPGD P15428 4/20 0.64
MAPK1 P28482 2/20 0.64
TSHR P16473 1/20 0.64
CASP1 P29466 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
POLB P06746 3/20 0.64
MAPT P10636 6/20 0.62
GFER P55789 1/20 0.62
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GLA P06280 2/20 0.58
KMT2A Q03164 3/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.56

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
SCHEMBL15331137 0.82 ALDH1A1 (0.73) GAAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL29957473 0.80 ALDH1A1 (0.97) GAAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL29956658 0.79 GAA (1.00) GAAL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15330999 0.79 POLB (0.97) GAAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL15331618 0.79 ALDH1A1 (1.00) GAAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL29957359 0.79 ALDH1A1 (1.00) GAAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL29955490 0.77 ALDH1A1 (0.77) GAAL3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL15330345 0.76 KMT2A (0.76) GAAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL2226511 0.69 MAPT (1.00) GAAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL29952952 0.69 MAPT (0.68) GAAL3MBTL1KDM4EALDH1A1HPGD

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