SCHEMBL968734

SCHEMBL968734

COc1ccc(-c2ccc(S)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
CYP2A6 P11509 2/20 0.56
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
PIP5K1C O60331 1/20 0.45
PIK3CB P42338 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
ERN1 O75460 2/20 0.44
FYN P06241 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CYP19A1 P11511 1/20 0.43
KDR P35968 3/20 0.43
NAAA Q02083 1/20 0.43

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
SCHEMBL3754419 0.87 CYP2A6 (0.68) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL31174412 0.87 CYP2A6 (0.68) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL2212520 0.83
SCHEMBL1422493 0.82 MKNK1 (0.59) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL12497850 0.82 MKNK1 (0.59) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL1422182 0.82 HSD17B1 (0.67) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL5052703 0.80 MKNK1 (0.57) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL969720 0.80 MKNK1 (0.57) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL17742850 0.80 MKNK1 (0.57) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL13575396 0.80 MKNK1 (0.57) MKNK1MKNK2CYP2A6HSD17B1HSD17B2

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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed