SCHEMBL9027635

SCHEMBL9027635

C=CCSc1nccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.44
CYP2A6 P11509 1/20 0.43
F12 P00748 1/20 0.43
PLAU P00749 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL1094230 0.79 CYP2A6 (0.50) TDP1CYP2A6F12PLAUNCF1
SCHEMBL28006480 0.77 PLAU (0.56) L3MBTL1TDP1CYP2A6F12PLAU
SCHEMBL12794530 0.76 PLAU (0.47) L3MBTL1TDP1CYP2A6F12PLAU
SCHEMBL15881921 0.75 HTT (0.59) L3MBTL1TDP1HTTMAPTTSHR
SCHEMBL7034890 0.73 ALDH1A1 (0.50) L3MBTL1TDP1CYP2A6F12PLAU
SCHEMBL2607720 0.73 L3MBTL1 (0.50) L3MBTL1TDP1HTTMAPTMEN1
SCHEMBL20123201 0.72 CYP2A6 (0.43) TDP1CYP2A6F12PLAUNCF1
SCHEMBL29172556 0.72 ALDH1A1 (0.46) TDP1CYP2A6F12PLAUNCF1
SCHEMBL28006481 0.72 CYP2A6 (0.50) L3MBTL1TDP1CYP2A6F12PLAU
SCHEMBL11612248 0.72 CYP2A6 (0.55) L3MBTL1TDP1CYP2A6F12PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390099-B1 Polar cephalosporin derivatives and process for their preparation HOECHST AG (DE) 1996-06-26 EP claimed
CN-1062772-A The method of making the sieve material of low internal stress reaches the sieve material that makes thus STORK SCREENS BV (NL) 1992-07-15 CN claimed
JP-2289585-A None JP disclosed
CN-1038605-C Method for forming sieve material having low internal stress and sieve material so obtained STORK SCREENS BV (NL) 1998-06-03 CN disclosed
JP-H02289585-A POLAR CEPHALOSPORIN DERIVATIVE AND ITS PREPARATION HOECHST AG 1990-11-29 JP disclosed