SCHEMBL9845996

SCHEMBL9845996

CN(C)C1SC(=C2C(=O)CC(c3ccco3)CC2=O)SC1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
POLB P06746 7/20 0.43
TDP1 Q9NUW8 6/20 0.43
KMT2A Q03164 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
RECQL P46063 4/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 13/20 0.39
HTT P42858 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAP1LC3B Q9GZQ8 2/20 0.39
KDM4E B2RXH2 6/20 0.38
MEN1 O00255 3/20 0.38
SHMT2 P34897 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9845971 0.82 TDP1 (0.38) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL9837769 0.74 MAPT (0.46) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL9837030 0.65 MAPT (0.38) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL1177395 0.62 POLB (1.00) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL1782631 0.61 POLB (0.56) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL14125492 0.60 POLB (0.59) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL7687762 0.60 POLB (0.50) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL1177894 0.59 POLB (0.62) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL12648261 0.59 POLB (0.54) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL7689218 0.58 ALDH1A1 (0.55) MAPTPOLBTDP1KMT2ANPSR1

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
EP-0414952-A1 Dithiolane derivatives NIHON NOHYAKU CO., LTD. (JP) 1991-03-06 EP disclosed