SCHEMBL27798162

SCHEMBL27798162

Cc1ccc(OP(O)(O)=S)cc1.N=C=O.N=C=O.N=C=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 4/20 0.42
PTK2B Q14289 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 1/20 0.35
WDR5 P61964 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6691437 0.88 TSHR (0.54) TSHRCYP3A4LMNAPTK2BRXFP1
SCHEMBL28286382 0.86 TSHR (0.52) TSHRCYP3A4LMNAPTK2BRXFP1
Cyanate SCHEMBL28199844 0.83 CYP3A4 (0.45) TSHRCYP3A4LMNAPTK2BRXFP1
SCHEMBL1298278 0.81 SRC (0.52) MEN1KMT2AL3MBTL1
SCHEMBL6260761 0.81 SRC (0.52) MEN1KMT2AL3MBTL1
Carbamic Acid SCHEMBL27866020 0.80 CYP3A4 (0.47) TSHRCYP3A4LMNAPTK2BRXFP1
SCHEMBL28123561 0.79 CYP3A4 (0.79) TSHRCYP3A4LMNAACHEALDH1A1
SCHEMBL27675839 0.78 CYP3A4 (0.39) TSHRCYP3A4LMNAPTK2BRXFP1
SCHEMBL1974047 0.76 TSHR (0.54) TSHRCYP3A4LMNAPTK2BRXFP1
SCHEMBL27549937 0.75 TSHR (0.41) TSHRCYP3A4LMNAPTK2BRXFP1

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
CN-101918480-B Fluororesin-coated polymer film for reinforcing polymer electrolyte membrane, reinforced polymer electrolyte membrane, and membrane electrode assembly JAPAN GORE TEX INC 2012-10-10 CN disclosed
CN-101918480-A Fluororesin-coated polymer film for reinforcing polymer electrolyte membrane, reinforced polymer electrolyte membrane, and membrane electrode assembly JAPAN GORE TEX INC 2010-12-15 CN disclosed