SCHEMBL29952830

SCHEMBL29952830

OB(O)c1ccc(OCCSc2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.49
NPC1 O15118 10/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
MAPT P10636 5/20 0.49
HPGD P15428 4/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 2/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29955073 0.85 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL29954695 0.85 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL29956665 0.80 CA1 (0.50) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL29954966 0.78 HPGD (0.48) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL9272857 0.77 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL12330474 0.75 CA1 (0.43) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL9270577 0.74 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL257984 0.72 CA1 (0.67) RAB9AMAPTALDH1A1CA1CA2
SCHEMBL10404144 0.72 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL9274347 0.72 SMN1; SMN2 (0.47) 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