SCHEMBL29950809

SCHEMBL29950809

CC(C)(C)c1nn(Cc2ccccc2)c(Cl)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRN P28799 2/20 0.44
SORT1 Q99523 2/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.37
NR1H3 Q13133 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL15148294 0.86 AADAT (0.43) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL31019700 0.84 NPBWR1 (0.42) ALDH1A1LMNAKDM4EL3MBTL1MAPT
SCHEMBL964648 0.81 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL29951608 0.79
SCHEMBL29951706 0.78 KMT2A (0.47) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL29951177 0.77 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL29956092 0.77 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL6417130 0.77 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL29958109 0.76 KMT2A (0.45) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL25972149 0.76 KMT2A (0.51) KMT2AMEN1ALDH1A1LMNANPSR1

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