SCHEMBL2568446

SCHEMBL2568446

CCc1c(C(=O)O)nnn1-c1cccc(C(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.43
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
POLB P06746 2/20 0.41
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR4A3 Q92570 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 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
SCHEMBL29957108 1.00 TP53 (0.47) TP53HTTLMNAPTGS2SMN1; SMN2
SCHEMBL4771914 0.83 HTT (0.64) TP53HTTPTGS2SMN1; SMN2POLB
SCHEMBL15331504 0.83 HTT (0.68) TP53HTTLMNAPTGS2SMN1; SMN2
SCHEMBL15330215 0.80 HTT (0.46) TP53HTTLMNAPTGS2SMN1; SMN2
SCHEMBL15933234 0.79 ALDH1A1 (0.49) HTTLMNAPTGS2SMN1; SMN2IDO1
SCHEMBL20209780 0.73 CHRNA7 (0.44) HTTLMNAPTGS2SMN1; SMN2IDO1
SCHEMBL15930177 0.71 IDO1 (0.44) HTTLMNASMN1; SMN2IDO1TDO2
SCHEMBL20646850 0.70 TP53 (0.50) TP53LMNASMN1; SMN2POLBTDP1
SCHEMBL2217305 0.69 HTT (0.46) TP53HTTALOX12NR4A3MEN1
SCHEMBL14498646 0.69 TP53 (0.49) TP53LMNASMN1; SMN2POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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