SCHEMBL12445241

SCHEMBL12445241

COc1cc(CN)cc(Cl)c1OCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.44
PLAU P00749 1/20 0.43
HPGD P15428 2/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL13310957 0.85 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2ALMNAGAA
SCHEMBL13310979 0.80 KMT2A (0.63) ALDH1A1L3MBTL1KMT2ALMNAGAA
SCHEMBL2333441 0.79 S1PR2 (0.61) ALDH1A1L3MBTL1KMT2ALMNAGAA
SCHEMBL2331661 0.79 POLB (0.58) ALDH1A1L3MBTL1KMT2ALMNAGAA
Hydrochloric Acid SCHEMBL2333538 0.79 KMT2A (0.65) ALDH1A1L3MBTL1KMT2ALMNAGAA
Hydrochloric Acid SCHEMBL2332778 0.79 KMT2A (0.62) ALDH1A1L3MBTL1KMT2ALMNAGAA
SCHEMBL15331704 0.79 ALDH1A1 (0.78) ALDH1A1L3MBTL1KMT2ALMNAGAA
SCHEMBL13310937 0.78 SMN1; SMN2 (0.70) ALDH1A1L3MBTL1KMT2ALMNAGAA
SCHEMBL2334286 0.78 KMT2A (0.47) ALDH1A1L3MBTL1KMT2ALMNAGAA
Hydrochloric Acid SCHEMBL2330352 0.77 KMT2A (0.69) ALDH1A1L3MBTL1KMT2ALMNAGAA

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
WO-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO disclosed