SCHEMBL29952498

SCHEMBL29952498

Cc1nc2cc(B(O)O)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
STAT1 P42224 1/20 0.48
ENPP2 Q13822 1/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.43
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
CA2 P00918 2/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL15445621 1.00 L3MBTL1 (0.53) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL15738098 0.87 ALDH1A1 (0.48) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL13257785 0.83 L3MBTL1 (0.54) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL7891196 0.78 MAPT (0.58) RAB9ANPC1ENPP2KDM4EMAPT
SCHEMBL29954485 0.78 MAPT (0.58) RAB9ANPC1ENPP2KDM4EMAPT
SCHEMBL29785125 0.77 ESR1 (0.58) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL1192488 0.77 ESR1 (0.58) L3MBTL1GAARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL22494312 0.76 LMNA (0.56) RAB9ANPC1ENPP2KDM4EMAPT
Hydrochloric Acid SCHEMBL28510580 0.76 LMNA (0.56) RAB9ANPC1ENPP2KDM4EMAPT
SCHEMBL9105844 0.76 NPC1 (0.61) L3MBTL1GAARAB9ANPC1SMN1; SMN2

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