SCHEMBL970139

SCHEMBL970139

COc1cncc(-c2ccc(S)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.62
CYP11B2 P19099 13/20 0.62
CYP1A2 P05177 4/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
CYP2C19 P33261 1/20 0.49
MAP4K4 O95819 1/20 0.47
TGFBR1 P36897 1/20 0.44
CYP17A1 P05093 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 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
SCHEMBL21960161 0.86 CYP11B1 (0.73) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL5702666 0.84 CYP1A1 (0.74) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL15296276 0.83 CYP11B1 (0.64) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL968951 0.81 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL21044298 0.81 MKNK1 (0.64) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL12302844 0.81 CYP11B1 (0.65) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL1623766 0.79 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL12919969 0.79 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL486081 0.79 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL1569892 0.78 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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