SCHEMBL11748428

SCHEMBL11748428

Cc1ccc2c(c1)C(c1ccc(OS)cc1)(c1ccc(OS)cc1)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADAMTS5 Q9UNA0 4/20 0.42
LMNA P02545 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM2 P08172 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
KCNH2 Q12809 1/20 0.40
USP2 O75604 2/20 0.39
AKR1B1 P15121 1/20 0.38

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
SCHEMBL11749979 0.94 CHRM2 (0.51) GAAMGAMSIMGAM2MAPT
SCHEMBL11751065 0.86 MAPT (0.46) MAPTLMNAMEN1KMT2AXBP1
SCHEMBL5483660 0.82 MAPT (0.70) GAAMGAMSIMGAM2MAPT
SCHEMBL11748423 0.81 MAPT (0.45) GAAMGAMSIMGAM2MAPT
SCHEMBL5481309 0.81 CHRM2 (0.62) GAAMGAMSIMGAM2MAPT
SCHEMBL11753047 0.80 CHRM2 (0.51) MAPTLMNAMEN1KMT2AXBP1
SCHEMBL11749977 0.77 CHRM2 (0.48) GAAMGAMSIMGAM2MAPT
SCHEMBL11748640 0.73 CHRM2 (0.78) GAAMGAMSIMGAM2MAPT
SCHEMBL11748297 0.72 MAPT (0.88) GAAMGAMSIMGAM2MAPT
SCHEMBL11748669 0.71 CNR1 (0.68) GAAMAPTLMNAMEN1KMT2A

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
US-4053483-A DERIVATIVES OF 3,3-BIS-(4-HYDROXYPHENYL)-2-INDOLINONE AND PROCESS FOR THE PREPARATION THEREOF DOCTOR ANDREU S.A. (ES) 1977-10-11 US disclosed