SCHEMBL5848705

SCHEMBL5848705

Fc1ccccc1O[C]=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NFE2L2 Q16236 1/20 0.35
HTR1A P08908 3/20 0.35
SLC6A2 P23975 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CXCL8 P10145 1/20 0.35
RHEB Q15382 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL14703718 0.76 L3MBTL1 (0.38) L3MBTL1TDP1NFE2L2HTR1ASLC6A2
SCHEMBL95848 0.76 PARP10 (0.39) L3MBTL1TDP1NFE2L2HTR1ASLC6A2
SCHEMBL6219566 0.76 L3MBTL1 (0.38) L3MBTL1TDP1NFE2L2HTR1ASLC6A2
SCHEMBL30773497 0.71 HTR1A (0.55) L3MBTL1TDP1HTR1ASLC6A2ALDH1A1
SCHEMBL2389927 0.71 HTR1A (0.55) L3MBTL1TDP1HTR1ASLC6A2ALDH1A1
SCHEMBL6289414 0.69 HTR1A (0.59) L3MBTL1TDP1HTR1ASLC6A2ALDH1A1
SCHEMBL6293091 0.69 HTR1A (0.59) L3MBTL1TDP1HTR1ASLC6A2ALDH1A1
SCHEMBL6289399 0.69 HTR1A (0.59) L3MBTL1TDP1HTR1ASLC6A2ALDH1A1
SCHEMBL28887844 0.69
SCHEMBL27715115 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138538-B2 Process for the separation of enantiomers and enantiopure reagent SOLVAY (SOCIETE ANONYME) (BE) 2006-11-21 US disclosed
US-6743373-B1 REAGENT BASED ON ENANTIOPURE AMINO ACID IN WHICH AMINO GROUP CARRIES ACTIVATING GROUP TO FORM ACTIVE PRECURSOR OF ISOCYANATE GROUP AND CARBOXYL GROUP IS SUBSTITUTED; SEPARATION OF ENANTIOMERS HAVING FREE FUNCTIONAL GROUP SOLVAY (SOCIETE ANONYME) (BE) 2004-06-01 US disclosed