SCHEMBL29954096

SCHEMBL29954096

Cc1cc(C=O)c(C)c2c1[nH]c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
MAPT P10636 5/20 0.54
KMT2A Q03164 5/20 0.54
PARP1 P09874 3/20 0.51
AHR P35869 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
TNKS2 Q9H2K2 1/20 0.47
ABCB1 P08183 1/20 0.47
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
KIF11 P52732 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43

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
SCHEMBL1779012 1.00 MEN1 (0.54) MEN1MAPTKMT2APARP1AHR
SCHEMBL11760240 0.84 CHEK1 (0.46) MEN1MAPTKMT2APARP1ABCB1
SCHEMBL4096015 0.78 MAPT (0.51) MEN1MAPTKMT2APARP1AHR
SCHEMBL21203060 0.76 MEN1 (0.56) MEN1MAPTKMT2APARP1AHR
SCHEMBL12891935 0.76 TTR (0.54) MEN1MAPTKMT2APARP1PIM1
SCHEMBL1250374 0.76 TTR (0.54) MEN1MAPTKMT2APARP1PIM1
SCHEMBL1250375 0.76 TTR (0.54) MEN1MAPTKMT2APARP1PIM1
SCHEMBL4733891 0.75 MEN1 (0.55) MEN1MAPTKMT2APARP1AHR
SCHEMBL554573 0.74 MAPT (0.64) MEN1MAPTKMT2APARP1AHR
SCHEMBL8821082 0.73 GABRA1 (0.43) MEN1MAPTKMT2AKDM4ENR3C1

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