SCHEMBL29954922

SCHEMBL29954922

Cc1ccc2c(C=O)c(C3CCCCC3)[nH]c2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
STING1 Q86WV6 1/20 0.35
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL29952259 0.94 STING1 (0.36) STING1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL29951956 0.83 TRIM24 (0.41) DYRK1AKMT2AKDM4EMAPTALDH1A1
SCHEMBL29957069 0.81 KDM4E (0.38) DYRK1AKMT2AKDM4EMAPTJAK2
SCHEMBL29953493 0.80 MAPT (0.41) KMT2AKDM4EMAPTALDH1A1GAA
SCHEMBL29955937 0.77 AR (0.32) DYRK1AKMT2ATDP1ALDH1A1
SCHEMBL29957613 0.77 NOS2 (0.40) DYRK1A
SCHEMBL29952619 0.77 TRIM24 (0.43) KMT2AKDM4EMAPTALDH1A1GAA
SCHEMBL29951429 0.75 APOL1 (0.33) KDM4ETDP1NPC1RAB9ASMN1; SMN2
SCHEMBL29956616 0.74 MEN1 (0.41) DYRK1AKMT2AKDM4EL3MBTL1TDP1
SCHEMBL29955666 0.73 KDM4E (0.41) KMT2AKDM4EMAPT

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