SCHEMBL29953764

SCHEMBL29953764

N#Cc1cccc(O)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.41
AR P10275 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PADI4 Q9UM07 1/20 0.35
CXCR2 P25025 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TYR P14679 1/20 0.35
TSHR P16473 1/20 0.34
MCL1 Q07820 1/20 0.34
HTT P42858 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
SCHEMBL6903631 0.85 ALDH1A1 (0.42) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL311198 0.78 ERN1 (0.54) ERN1TRIM24TRIM33CA1CA2
SCHEMBL30697240 0.77 AR (0.43) ERN1ARTRIM24TRIM33ESR2
SCHEMBL29954526 0.76 TSHR (0.54) ARCA1CA2ALDH1A1MEN1
SCHEMBL29955549 0.76 ERN1 (0.38) ERN1CA1CA2ALDH1A1MEN1
SCHEMBL28162291 0.76 DYRK1A (0.41) ERN1CA1CA2ALDH1A1MEN1
SCHEMBL7530450 0.76 ERN1 (0.38) ERN1CA1CA2ALDH1A1MEN1
SCHEMBL28568257 0.76 UPP1 (0.37) ERN1ARPADI4
SCHEMBL3217007 0.76 ALDH1A1 (0.61) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL28738488 0.76 TSHR (0.54) ARCA1CA2ALDH1A1MEN1

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