SCHEMBL29951599

SCHEMBL29951599

CC(C)(C)C(=O)Nc1nc(Cl)ccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
ADORA1 P30542 2/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MITF O75030 1/20 0.36
HPGD P15428 1/20 0.36
KLF5 Q13887 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL247107 1.00 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL15335075 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL123585 0.83 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL29541653 0.82 ATR (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL4056822 0.82 ATR (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29950915 0.82 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL2209190 0.82 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL1661669 0.81 KMT2A (0.47) L3MBTL1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL1514065 0.81 MAPT (0.37) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL267725 0.80 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ASMN1; SMN2TP53

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