SCHEMBL2334286

SCHEMBL2334286

COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 3/20 0.40
PKM P14618 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
FAAH O00519 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2327211 0.81 KMT2A (0.47) KMT2AALDH1A1LMNAL3MBTL1GAA
SCHEMBL13310957 0.80 ALDH1A1 (0.55) KMT2AALDH1A1LMNAL3MBTL1GAA
Hydrochloric Acid SCHEMBL2332778 0.78 KMT2A (0.62) KMT2AALDH1A1LMNAL3MBTL1GAA
SCHEMBL12445241 0.78 ALDH1A1 (0.50) KMT2AALDH1A1LMNAL3MBTL1GAA
SCHEMBL13310961 0.77 KMT2A (0.46) KMT2AALDH1A1LMNAL3MBTL1GAA
Hydrochloric Acid SCHEMBL2330352 0.77 KMT2A (0.69) KMT2AALDH1A1LMNAL3MBTL1GAA
Hydrochloric Acid SCHEMBL2330965 0.76 KMT2A (0.71) KMT2AALDH1A1LMNAL3MBTL1GAA
SCHEMBL13347784 0.75 KMT2A (0.42) KMT2AALDH1A1LMNAL3MBTL1GAA
SCHEMBL13310979 0.75 KMT2A (0.63) KMT2AALDH1A1LMNAL3MBTL1GAA
SCHEMBL2333441 0.74 S1PR2 (0.61) KMT2AALDH1A1LMNAL3MBTL1GAA

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