SCHEMBL29956559

SCHEMBL29956559

N#CCN1Cc2c(B(O)O)cccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
DHPS P49366 2/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PREP P48147 2/20 0.34
HTT P42858 4/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 1/20 0.33
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
MAP3K5 Q99683 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL29957027 0.84 HTT (0.44) HRH3DHPSHTTMEN1MAPT
SCHEMBL29954152 0.81 HTT (0.43) HRH3DHPSHTTMEN1MAPT
SCHEMBL2558098 0.81 PARP1 (0.41) HRH3DHPSHTTMEN1MAPT
SCHEMBL29957144 0.77 PARP1 (0.42) PREPHTTALOX15LMNAALDH1A1
SCHEMBL29951975 0.75 POLB (0.38) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL29951946 0.72 IDH1 (0.44) HTTMEN1KMT2AKDM4EALOX15
SCHEMBL29951234 0.72 NOTUM (0.45) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29951915 0.71 UGCG (0.58) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24761863 0.69 HRH3 (0.45) HRH3DHPSHTTMEN1MAPT
SCHEMBL29953994 0.69 KDM4E (0.37) PREPENPP2DPP4FAPDPP8

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