SCHEMBL3342286

SCHEMBL3342286

CC(C)(C)N(C(=O)O)c1ccccc1N=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
RIPK1 Q13546 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HDAC3 O15379 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
SCHEMBL6005339 0.78 TRPM8 (0.46) KMT2AMEN1HTTL3MBTL1POLB
SCHEMBL247809 0.76 KDM4E (0.38) KMT2AMEN1HTTL3MBTL1POLB
SCHEMBL28449626 0.76 L3MBTL1 (0.42) KMT2AMEN1HTTL3MBTL1POLB
SCHEMBL17220649 0.75 ALDH1A1 (0.40) KMT2AMEN1HTTL3MBTL1SMN1; SMN2
SCHEMBL16968516 0.75 TACR1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL1427899 0.74 KMT2A (0.40) KMT2AMEN1HTTL3MBTL1POLB
SCHEMBL1208112 0.74 MEN1 (0.37) KMT2AMEN1HTTL3MBTL1RIPK1
SCHEMBL5655590 0.74 CA12 (0.43) KMT2AMEN1HTTL3MBTL1POLB
SCHEMBL7034982 0.72 KMT2A (0.47) KMT2AMEN1HTTL3MBTL1POLB
SCHEMBL20564934 0.72 KMT2A (0.36) KMT2AMEN1HTTL3MBTL1RIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed