SCHEMBL29952833

SCHEMBL29952833

COc1ccc(CN2CCN(C)CC2)cc1B(O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 4/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CHKA P35790 1/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL29725216 0.88 KMT2A (0.50) KMT2AKDM4EMEN1SMN1; SMN2TP53
SCHEMBL21550767 0.88 KMT2A (0.50) KMT2AKDM4EMEN1SMN1; SMN2TP53
SCHEMBL29956962 0.87 GAA (0.59) KMT2AKDM4EMEN1LMNATDP1
SCHEMBL29955246 0.83 HTR7 (0.64) KMT2AKDM4EMEN1CRHBPCRHR2
SCHEMBL9996727 0.81 KDM4E (0.64) KDM4EHTTLMNAGAA
SCHEMBL2933199 0.81 CRHBP (0.50) KMT2AKDM4EMEN1CRHBPCRHR2
SCHEMBL520005 0.81 LMNA (0.57) KMT2AMEN1CRHBPCRHR2SMN1; SMN2
SCHEMBL13559777 0.81 CHKA (0.56) KMT2AKDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL15330913 0.80 HTT (0.62) KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL15332099 0.80 CRHBP (0.64) KMT2AKDM4EMEN1CRHBPCRHR2

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