SCHEMBL29951005

SCHEMBL29951005

O=CC1C(=O)Nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
GSK3B P49841 2/20 0.42
BRPF1 P55201 1/20 0.41
CREBBP Q92793 1/20 0.41
TDO2 P48775 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 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
SCHEMBL1101964 1.00 IDO1 (0.47) IDO1MAPTL3MBTL1KDM4EGAA
SCHEMBL6243496 0.82 IDO1 (0.46) IDO1MAPTL3MBTL1KDM4EGAA
SCHEMBL28862765 0.79 IDO1 (0.44) IDO1MAPTL3MBTL1KDM4EGAA
SCHEMBL31244592 0.74 PARP1 (0.40) MAPTL3MBTL1KDM4EGAAGSK3B
SCHEMBL29955806 0.74 CACNB4 (0.41) GAA
SCHEMBL29954649 0.74 TP53 (0.46) MAPTALDH1A1TP53SMN1; SMN2EGFR
SCHEMBL29952427 0.74 EPHX2 (0.40) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL29956773 0.74 GAA (0.39) MAPTKDM4EGAACREBBPALDH1A1
SCHEMBL29953205 0.74 PGR (0.43) IDO1MAPTTDO2MEN1TP53
SCHEMBL1314441 0.74 HTR7 (0.40) MAPTKMT2A

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