SCHEMBL29955073

SCHEMBL29955073

OB(O)c1ccc(OCCSc2ncccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.67
NPC1 O15118 13/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
MAPT P10636 7/20 0.67
HPGD P15428 5/20 0.67
MAPK1 P28482 4/20 0.67
TP53 P04637 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 2/20 0.56
HTT P42858 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
TDP1 Q9NUW8 4/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL29952830 0.85 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL29957056 0.83 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL29956665 0.82 CA1 (0.50) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL10452658 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL14167586 0.76 CA2 (0.48) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL9269487 0.76 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL257984 0.73 CA1 (0.67) RAB9AMAPTALDH1A1
SCHEMBL29954966 0.73 HPGD (0.48) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12330474 0.73 CA1 (0.43) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL9271419 0.73 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTHPGD

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