SCHEMBL29951024

SCHEMBL29951024

O=Cc1cc(O)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.44
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31

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
SCHEMBL30589401 0.78 TDP1 (0.40) ERN1TDP1ALDH1A1MEN1MAPT
SCHEMBL1533918 0.78 TDP1 (0.40) ERN1TDP1ALDH1A1MEN1MAPT
SCHEMBL29951690 0.75 TDP1 (0.38) ERN1TDP1ALDH1A1
SCHEMBL31723867 0.75 TDP1 (0.38) ERN1TDP1ALDH1A1LMNATRIM24
SCHEMBL660973 0.75 TDP1 (0.38) ERN1TDP1ALDH1A1LMNATRIM24
SCHEMBL29953875 0.75 CYP1A2 (0.38) ERN1TDP1ALDH1A1MEN1MAPT
SCHEMBL15012943 0.75 TDP1 (0.38) ERN1TDP1ALDH1A1
SCHEMBL29952951 0.75 ERN1 (0.44) ERN1
SCHEMBL29956308 0.75 ERN1 (0.43) ERN1ALDH1A1MEN1LMNAMAPT
SCHEMBL29955820 0.74 ERN1 (0.39) ERN1MEN1NPC1RAB9AKMT2A

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