SCHEMBL15330215

SCHEMBL15330215

CC(=O)c1cccc(-n2nnc(C(=O)O)c2C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL17595761 0.83 HTT (0.64) HTTPTGS2TP53SMN1; SMN2POLB
SCHEMBL15331504 0.83 HTT (0.68) HTTIDO1TDO2LMNAPTGS2
SCHEMBL2568446 0.80 TP53 (0.47) HTTIDO1TDO2LMNAPTGS2
SCHEMBL29957108 0.80 TP53 (0.47) HTTIDO1TDO2LMNAPTGS2
SCHEMBL17324762 0.79 HTT (0.54) HTTLMNAPTGS2TP53SMN1; SMN2
SCHEMBL15778990 0.74 PTGS2 (0.55) HTTLMNAPTGS2SMN1; SMN2ROCK2
SCHEMBL2276668 0.73 P2RY14 (0.43) HTTPTGS2ROCK2ROCK1SLC5A1
SCHEMBL17321492 0.72 HTT (0.53) HTTIDO1TDO2PTGS2TP53
SCHEMBL3109208 0.70 CYP1A2 (0.46) HTTPTGS2TP53SMN1; SMN2ROCK2
SCHEMBL20646850 0.70 TP53 (0.50) LMNATP53SMN1; 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 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