SCHEMBL9816644

SCHEMBL9816644

CSc1ccccc1OP(=O)(Oc1ccccc1SC)Oc1ccccc1SC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9816649 0.84 INPPL1 (0.52) TSHRSMN1; SMN2HSD17B10POLBTDP1
SCHEMBL8589535 0.76 TSHR (0.38) TSHRSMN1; SMN2HSD17B10POLBTDP1
SCHEMBL2774997 0.75 SLC6A2 (0.49) TSHRSMN1; SMN2HSD17B10POLBTDP1
SCHEMBL30514820 0.73 CA1 (0.57) TSHRSMN1; SMN2HSD17B10POLBTDP1
SCHEMBL25820737 0.73 POLB (0.42) TSHRSMN1; SMN2HSD17B10POLBTDP1
SCHEMBL71009 0.73 CA1 (0.57) TSHRSMN1; SMN2HSD17B10POLBTDP1
SCHEMBL11779552 0.71 PTGS2 (0.38)
SCHEMBL35762 0.71 KDM4E (0.50) TSHRSMN1; SMN2POLBTDP1MAPT
SCHEMBL19809 0.71 CA1 (0.62) TSHRSMN1; SMN2HSD17B10POLBTDP1
SCHEMBL29405980 0.71 KDM4E (0.50) TSHRSMN1; SMN2POLBTDP1MAPT

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-0135714-B1 SUSTAINED RELEASE COMPOSITIONS FOR BIOLOGICALLY ACTIVE MATERIALS MELAMINE CHEMICALS, INC. (US) 1991-11-06 EP disclosed