SCHEMBL29952087

SCHEMBL29952087

CCNC(=O)CN(C)c1cc(Br)ccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
SLC6A19 Q695T7 1/20 0.36
ERN1 O75460 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A3 P47895 1/20 0.32

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
SCHEMBL29956526 0.86 ERN1 (0.38) KDM4ERXFP1ERN1PTGDR2MEN1
SCHEMBL29957679 0.82 NOTUM (0.39) TSHRPTGDR2MEN1KMT2AALDH1A1
SCHEMBL29950894 0.81 ERN1 (0.40) KDM4EERN1PTGDR2MEN1KMT2A
SCHEMBL29956046 0.78 MPO (0.38) KDM4EERN1MEN1KMT2AALDH1A1
SCHEMBL29958139 0.75 ALDH1A3 (0.41) TSHRKDM4EMAPK1ERN1PTGDR2
SCHEMBL29957388 0.75 ALDH1A1 (0.37) TSHRKDM4EALDH1A1GAAL3MBTL1
SCHEMBL29956412 0.73 ERN1 (0.46) KDM4EERN1KMT2AALDH1A1LMNA
SCHEMBL29956220 0.73 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2L3MBTL1ALDH1A3
SCHEMBL25959321 0.72 ERN1 (0.48) ERN1PTGDR2ALDH1A1LMNAALDH1A3
SCHEMBL3208498 0.71 ERN1 (0.47) KDM4EMAPK1ERN1PTGDR2ALDH1A1

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 1 patent. 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