SCHEMBL5720727

SCHEMBL5720727

Cc1nc2ccccc2nc1OCCO

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ KDM4E B2RXH2 7/20 0.52
▸ HPGD P15428 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ POLB P06746 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 3/20 0.48
▸ PDE10A Q9Y233 2/20 0.45
▸ GALR3 O60755 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.42

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
SCHEMBL7932783 0.79 L3MBTL1 (0.66) TSHRL3MBTL1KDM4EHPGDALDH1A1
SCHEMBL26812621 0.75 L3MBTL1 (1.00) TSHRL3MBTL1KDM4EHPGDALDH1A1
SCHEMBL1122737 0.75 PKM (0.60) TSHRL3MBTL1KDM4EALDH1A1GAA
SCHEMBL5936640 0.74 PARP10 (0.60) TSHRL3MBTL1KDM4EALDH1A1POLB
SCHEMBL1123053 0.73 MAPT (0.63) TSHRL3MBTL1KDM4EHPGDALDH1A1
SCHEMBL804981 0.72 TSHR (0.61) TSHRL3MBTL1KDM4EHPGDALDH1A1
SCHEMBL1123321 0.72 KMT2A (0.57) TSHRL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL22372364 0.71 L3MBTL1 (0.47) TSHRL3MBTL1KDM4EHPGDALDH1A1
SCHEMBL13896740 0.70 GAA (0.40) TSHRALDH1A1KMT2AGAARECQL
SCHEMBL11208809 0.70 PDE3B (0.48) ALDH1A1PDE10A

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
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 — — EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 — — WO disclosed
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