SCHEMBL10746554

SCHEMBL10746554

CCCCCCOc1ccc(C(N)=S)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.67
GAA P10253 2/20 0.67
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
LMNA P02545 1/20 0.67
MAPT P10636 1/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TSHR P16473 1/20 0.63
SLC2A1 P11166 2/20 0.61
PLA2G4B P0C869 1/20 0.61
NR5A1 Q13285 1/20 0.61
RARB P10826 3/20 0.58
PRMT1 Q99873 3/20 0.56
F2 P00734 2/20 0.56
ST14 Q9Y5Y6 2/20 0.56
PLAU P00749 1/20 0.56
PRMT5 O14744 1/20 0.56
SLC22A2 O15244 1/20 0.56
SLC22A1 O15245 1/20 0.56

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
SCHEMBL7899214 1.00 TP53 (0.67) TP53GAARAB9ANPC1LMNA
SCHEMBL7889286 1.00 TP53 (0.67) TP53GAARAB9ANPC1LMNA
SCHEMBL15019645 1.00 TP53 (0.67) TP53GAARAB9ANPC1LMNA
SCHEMBL7899200 0.95 RAB9A (0.64) TP53GAARAB9ANPC1LMNA
SCHEMBL7896219 0.87 GAA (0.54) TP53GAARAB9ANPC1LMNA
Benzene SCHEMBL28017867 0.84 MEN1 (0.52) TP53GAARAB9ANPC1LMNA
SCHEMBL19723267 0.83 TP53 (0.73) TP53GAARAB9ANPC1LMNA
SCHEMBL7455430 0.83 TP53 (0.73) TP53GAARAB9ANPC1LMNA
SCHEMBL4652240 0.83 TP53 (0.73) TP53GAARAB9ANPC1LMNA
SCHEMBL9649959 0.83 PRMT1 (0.83) TP53GAARAB9ANPC1LMNA

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-4715984-A DIELECTRICS FOR ELECTROOPTICAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-12-29 US disclosed