SCHEMBL29952789

SCHEMBL29952789

CCOc1nc2ccccc2cc1B(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 4/20 0.53
TLR8 Q9NR97 3/20 0.50
HRH4 Q9H3N8 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
POLB P06746 1/20 0.40
BCL2L11 O43521 1/20 0.40
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BAK1 Q16611 1/20 0.40
BBC3 Q9BXH1 1/20 0.40
LMNA P02545 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
SCHEMBL2074966 0.85 ALDH1A1 (0.46) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL29955290 0.85 ALDH1A1 (0.46) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL18023063 0.78 ALDH1A1 (0.62) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL28310888 0.78 TLR8 (0.68) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL18641090 0.77 ALDH1A1 (0.65) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL9091724 0.77 ALDH1A1 (0.60) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL28320053 0.77 TLR8 (0.61) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL18023034 0.77 ALDH1A1 (0.60) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL18023045 0.77 ALDH1A1 (0.60) ALDH1A1GAAKDM4ETLR8HRH4
SCHEMBL31664562 0.76 ALDH1A1 (1.00) ALDH1A1GAAKDM4ETLR8HRH4

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