SCHEMBL29954700

SCHEMBL29954700

COc1ccnc(C=O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.39
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
FDPS P14324 1/20 0.35
ERN1 O75460 1/20 0.35
DYRK1A Q13627 1/20 0.35
JAK2 O60674 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
G6PD P11413 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
SCHEMBL24961519 0.81 L3MBTL1 (0.38) NFE2L2ALDH1A1DYRK1AJAK2MAPK1
SCHEMBL19629214 0.81 NFE2L2 (0.36) NFE2L2ALDH1A1DYRK1AJAK2MAPK1
SCHEMBL29935924 0.79 ALDH1A1 (0.37) NFE2L2ALDH1A1TSHRFDPSERN1
SCHEMBL4111524 0.79 ALDH1A1 (0.37) NFE2L2ALDH1A1TSHRFDPSERN1
SCHEMBL28154686 0.79 ERN1 (0.41) NFE2L2ALDH1A1TSHRFDPSERN1
SCHEMBL30963127 0.79 ALDH1A1 (0.37) NFE2L2ALDH1A1TSHRFDPSERN1
SCHEMBL22454610 0.79 NFE2L2 (0.35) NFE2L2ALDH1A1DYRK1AJAK2MAPK1
SCHEMBL1662248 0.78 DYRK1A (0.40) ALDH1A1DYRK1AJAK2MAPK1L3MBTL1
SCHEMBL30320423 0.78 DYRK1A (0.40) ALDH1A1DYRK1AJAK2MAPK1L3MBTL1
SCHEMBL29268437 0.78 ERN1 (0.49) ALDH1A1ERN1MAPK1MAPTKDM4E

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