SCHEMBL29953538

SCHEMBL29953538

CC(C)N1CCN(Cc2ccccc2B(O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LIPE Q05469 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 4/20 0.41
KDM1A O60341 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LIPG Q9Y5X9 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
SCHEMBL2553323 0.81 MC4R (0.55) MPOKMT2AKDM4ELIPEALDH1A1
SCHEMBL28983737 0.81 KDM4E (0.53) MPOKMT2AMEN1KDM4ELIPE
SCHEMBL29504703 0.81 ALDH1A1 (0.55) MPOKMT2AMEN1KDM4ELIPE
SCHEMBL21352377 0.81 ALDH1A1 (0.55) MPOKMT2AMEN1KDM4ELIPE
Hydrochloric Acid SCHEMBL29953977 0.80 MC4R (0.53) MPOKMT2AKDM4ELIPEALDH1A1
SCHEMBL17460736 0.80 KMT2A (0.67) KMT2AMEN1ATMKDM4EALDH1A1
SCHEMBL2561014 0.80 DRD2 (0.50) MPOKMT2AMEN1KDM4ELIPE
SCHEMBL29952724 0.80 ALDH1A1 (0.58) MPOKMT2AMEN1KDM4ELIPE
Hydrochloric Acid SCHEMBL29954918 0.80 ALDH1A1 (0.53) MPOKMT2AMEN1KDM4ELIPE
SCHEMBL2464403 0.80 ALDH1A1 (0.58) MPOKMT2AMEN1KDM4ELIPE

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