SCHEMBL5665182

SCHEMBL5665182

O=C(S)C(Br)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.67
CES1 P23141 3/20 0.67
CYP2D6 P10635 2/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL604040 0.82 CES2 (0.76) CES2CES1CYP2D6SRCLMNA
Benzene SCHEMBL28201061 0.82 CES2 (0.76) CES2CES1CYP2D6SRCLMNA
SCHEMBL234580 0.82 CES2 (0.76) CES2CES1CYP2D6SRCLMNA
SCHEMBL5899350 0.82 CES2 (0.76) CES2CES1CYP2D6SRCLMNA
Hydrochloric Acid SCHEMBL7037834 0.80 CES2 (0.73) CES2CES1CYP2D6SRCLMNA
Ammonia Solution, Strong SCHEMBL38660268 0.80 CES2 (0.73) CES2CES1CYP2D6SRCLMNA
SCHEMBL5820145 0.80 CES2 (0.73) CES2CES1CYP2D6SRCLMNA
Methane SCHEMBL6115781 0.80 CES2 (0.73) CES2CES1CYP2D6SRCLMNA
SCHEMBL6963982 0.78 CES2 (0.70) CES2CES1CYP2D6SRCLMNA
SCHEMBL4973413 0.78 CES2 (0.77) CES2CES1CYP2D6SRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187626-A4 METHODS FOR PRODUCING 5'-NUCLEIC ACID-PROTEIN CONJUGATES COMPOUND THERAPEUTICS INC (US) 2006-07-19 EP disclosed
US-6623926-B1 Covalently bound through N-terminal cysteine and a aminothiol reacting group or through a tetracysteine motif and a bisarsenical group PHYLOS, INC. 2003-09-23 US disclosed
EP-1187626-A1 METHODS FOR PRODUCING 5'-NUCLEIC ACID-PROTEIN CONJUGATES Phylos, Inc. (US) 2002-03-20 EP disclosed
WO-2000072869-A9 METHODS FOR PRODUCING 5'-NUCLEIC ACID-PROTEIN CONJUGATES PHYLOS INC (US) 2002-01-31 WO disclosed
WO-2000072869-A1 METHODS FOR PRODUCING 5'-NUCLEIC ACID-PROTEIN CONJUGATES PHYLOS, INC. (US) 2000-12-07 WO disclosed
EP-0876377-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS VIA REDUCTIVE DICARBONYL CYCLIZATION INDUCED BY TRIALKYL PHOSPHITE OF 4-THIOAZETIDINONE DERIVATIVES OBTAINED FROM PENICILLINS 3 EXO S.r.l. (IT) 1998-11-11 EP disclosed
WO-1997020848-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS VIA REDUCTIVE DICARBONYL CYCLIZATION INDUCED BY TRIALKYL PHOSPHITE OF 4-THIOAZETIDINONE DERIVATIVES OBTAINED FROM PENICILLINS 3 EXO S.R.L. (IT) 1997-06-12 WO disclosed