SCHEMBL29951533

SCHEMBL29951533

O=C(Nc1ccc(F)c(Cl)c1)c1cccc(B(O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.54
FADS1 O60427 1/20 0.52
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
MAOB P27338 3/20 0.51
SLC2A1 P11166 1/20 0.50
MAOA P21397 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL29952403 0.88 RAB9A (0.66) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL29954699 0.85 RHOC (0.54) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2555750 0.82 NPC1 (0.69) NPC1RAB9AL3MBTL1SMN1; SMN2MAOB
SCHEMBL722066 0.82 MEN1 (0.73) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL2560439 0.81 FADS1 (0.58) NPC1RAB9AL3MBTL1SMN1; SMN2FADS1
SCHEMBL19479147 0.81 NPC1 (0.72) NPC1RAB9AL3MBTL1SMN1; SMN2FADS1
SCHEMBL21990931 0.81 NPC1 (0.72) NPC1RAB9AL3MBTL1SMN1; SMN2FADS1
SCHEMBL17803524 0.81 NPC1 (0.72) NPC1RAB9AL3MBTL1SMN1; SMN2FADS1
SCHEMBL17803482 0.81 NPC1 (0.76) NPC1RAB9AL3MBTL1SMN1; SMN2FADS1
SCHEMBL19156827 0.81 NPC1 (0.72) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1

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