SCHEMBL13187111

SCHEMBL13187111

Bc1nn(Cc2ccc(OC)cc2)c2sc(C(=O)OCC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MAPT P10636 5/20 0.48
UCHL1 P09936 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 3/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL348825 0.88 KDM4E (0.53) KDM4EMAPTUCHL1MEN1KMT2A
SCHEMBL345989 0.81 MAPT (0.47) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL10154924 0.75 KDM4E (0.44) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL22435184 0.72 MAPT (0.56) KDM4EMAPTUCHL1MEN1KMT2A
SCHEMBL30028627 0.72 MAPT (0.68) KDM4EMAPTUCHL1NPSR1ALDH1A1
SCHEMBL24828267 0.71 MAPT (0.67) KDM4EMAPTUCHL1MEN1KMT2A
SCHEMBL15075363 0.71 MAPT (0.55) KDM4EMAPTUCHL1NPSR1CYP1A2
SCHEMBL9925007 0.71 MAPT (0.54) KDM4EMAPTUCHL1MEN1KMT2A
SCHEMBL27215188 0.71 MAPT (0.54) KDM4EMAPTUCHL1NPSR1CYP1A2
SCHEMBL22412886 0.70 MAPT (0.53) KDM4EMAPTUCHL1NPSR1CYP1A2

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-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed