SCHEMBL29957076

SCHEMBL29957076

Cn1c(B(O)O)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ KDM4E B2RXH2 7/20 0.54
▸ ATM Q13315 1/20 0.52
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 5/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ PKM P14618 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL15639425 1.00 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EATMLMNARAB9A
SCHEMBL2379504 0.74 MAPK1 (0.56) SMN1; SMN2KDM4ELMNARAB9AALDH1A1
SCHEMBL30662375 0.74 MAPK1 (0.56) SMN1; SMN2KDM4ELMNARAB9AALDH1A1
SCHEMBL6807071 0.74 MEN1 (0.51) SMN1; SMN2KDM4EATMLMNARAB9A
SCHEMBL179064 0.74 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EATMLMNARAB9A
SCHEMBL12260592 0.73 ALDH1A1 (0.65) SMN1; SMN2KDM4EATMLMNARAB9A
SCHEMBL16449993 0.73 ACSS2 (0.56) SMN1; SMN2KDM4ELMNARAB9AALDH1A1
SCHEMBL1171430 0.73 MEN1 (0.69) SMN1; SMN2KDM4EATMLMNARAB9A
SCHEMBL353890 0.71 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EATMLMNARAB9A
SCHEMBL1053419 0.71 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EATMLMNARAB9A

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
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