SCHEMBL9016789

SCHEMBL9016789

COc1cc2sc([S+](C)[O-])cc(=O)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
STING1 Q86WV6 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 2/20 0.32
MAPK3 P27361 1/20 0.32
MAP2K1 Q02750 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9016595 0.73 MAOA (0.46) MAOASTING1L3MBTL1KDM4EALDH1A1
SCHEMBL9016582 0.72 TSHR (0.36) CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL9016620 0.71 MAOA (0.44) MAOASTING1L3MBTL1KDM4EALDH1A1
SCHEMBL13518417 0.69 MAOA (0.50) MAOASTING1L3MBTL1KDM4EALDH1A1
SCHEMBL10713450 0.68 ALDH1A1 (0.57) MAOAKDM4EALDH1A1HPGDCYP3A4
SCHEMBL7777285 0.64
SCHEMBL21624244 0.61 NPC1 (0.67) MAOAL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL31676772 0.61 NPC1 (0.67) MAOAL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL23787472 0.60 NPC1 (0.60) MAOAL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL21624241 0.60 NPC1 (0.69) MAOAL3MBTL1KDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed