SCHEMBL15330583

SCHEMBL15330583

Cc1ccccc1-n1nc(C(C)C)c(C=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 5/20 0.35
DHODH Q02127 3/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL2561012 0.90 KMT2A (0.35) KMT2AHTTALDH1A1MAPTKDM4E
SCHEMBL2557866 0.87 SMN1; SMN2 (0.41) KMT2AALDH1A1DHODHMAPTKDM4E
SCHEMBL15332564 0.85 KMT2A (0.38) KMT2AHTTALDH1A1MAPTKDM4E
SCHEMBL15330539 0.85 OPRM1 (0.33) KMT2AALDH1A1MAPTKDM4ENPSR1
SCHEMBL2559791 0.84 CDK4 (0.36) HTTALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL2562339 0.84 CDK4 (0.37) KMT2AHTTMAPTKDM4ENPSR1
SCHEMBL15332948 0.83 GAA (0.41) HTTALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL15331299 0.82 HTT (0.46) KMT2AHTTALDH1A1MAPTKDM4E
SCHEMBL29956884 0.81 SMN1; SMN2 (0.47) KMT2AHTTALDH1A1MAPTKDM4E
SCHEMBL15330129 0.78 NPSR1 (0.38) KMT2AHTTALDH1A1DHODHMAPT

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 5 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