SCHEMBL29956761

SCHEMBL29956761

Cc1nn(CC=O)c(C)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP1A1 P04798 1/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ENPP3 O14638 5/20 0.34
▸ ALPL P05186 5/20 0.34
▸ XIAP P98170 5/20 0.34
▸ ENPP1 P22413 3/20 0.34
▸ ELANE P08246 1/20 0.34
▸ LMNA P02545 2/20 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
SCHEMBL13066637 0.81 CCR1 (0.34) GLSALDH1A1L3MBTL1
SCHEMBL29955334 0.79 ALDH1A1 (0.52) GLSALDH1A1KMT2AMEN1MAPT
SCHEMBL29952172 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29951525 0.76 APAF1 (0.49) ALDH1A1MAPTMAPK1USP2TSHR
SCHEMBL29954122 0.74 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL13180563 0.74 GLS (0.61) GLSALDH1A1CYP1A1KMT2AL3MBTL1
SCHEMBL8657294 0.72 GLS (0.59) GLSALDH1A1CYP1A1KMT2AL3MBTL1
SCHEMBL3472325 0.71 GLS (0.68) GLSALDH1A1CYP1A1KMT2AL3MBTL1
SCHEMBL111808 0.71 ALDH1A1 (0.67) GLSALDH1A1CYP1A1KMT2AL3MBTL1
SCHEMBL29951827 0.67 ADORA2A (0.40) GLSALDH1A1CYP1A1KMT2ALMNA

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
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