SCHEMBL29956962

SCHEMBL29956962

COc1ccc(CN2CCCCCC2)cc1B(O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL29952833 0.87 KMT2A (0.50) GAAMEN1KMT2AKDM4ETDP1
SCHEMBL15330913 0.86 HTT (0.62) KMT2AHRH3
SCHEMBL15332099 0.86 CRHBP (0.64) MEN1KMT2AKDM4ETDP1
SCHEMBL29955246 0.84 HTR7 (0.64) MEN1KMT2AKDM4EHRH3LMNA
SCHEMBL28191613 0.84 GAA (0.66) GAAMEN1KMT2APOLBKDM4E
SCHEMBL16884151 0.82 GAA (0.63) GAAMEN1KMT2AKDM4E
SCHEMBL3377384 0.81 KDM4E (0.64) GAAMEN1KMT2AKDM4ETDP1
SCHEMBL5786740 0.80 GAA (0.69) GAAMEN1KMT2APOLBKDM4E
SCHEMBL4150936 0.80 GAA (0.69) GAAMEN1KMT2APOLBKDM4E
SCHEMBL8327595 0.80 ALDH1A1 (0.66) GAALMNA

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