SCHEMBL29952932

SCHEMBL29952932

CCOc1cccc2c(C=O)c[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
PIM3 Q86V86 8/20 0.55
PIM1 P11309 7/20 0.55
PIM2 Q9P1W9 2/20 0.46
CYP2A6 P11509 1/20 0.44
IMPDH2 P12268 1/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
DAO P14920 1/20 0.40
ADRB3 P13945 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL14887044 0.87 TRIM24 (0.54) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL1418447 0.83 TRIM24 (0.63) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL4932467 0.81 LTA4H (0.59) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL14961120 0.80 MAPT (0.60) TRIM24TRIM33PIM3PIM1KMT2A
SCHEMBL23777449 0.78 TRIM24 (0.47) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL13219343 0.78 PIM3 (0.78) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL20673991 0.76 ADRB3 (0.44) CYP2A6KMT2AKDM4EALDH1A1DAO
SCHEMBL29950589 0.76 CYP2A6 (0.54) CYP2A6IMPDH2KMT2AKDM4EMAPT
SCHEMBL29954763 0.75 TRIM24 (0.70) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL5418014 0.74 CLEC4M (0.67) TRIM24TRIM33PIM3PIM1PIM2

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