SCHEMBL3605491

SCHEMBL3605491

N#Cc1cccnc1SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP2C9 P11712 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
POLB P06746 1/20 0.52
CXCR2 P25025 1/20 0.52
HSD17B10 Q99714 1/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 4/20 0.49
PPARG P37231 2/20 0.49
NCOA2 Q15596 2/20 0.49
TP53 P04637 1/20 0.49
NCOA1 Q15788 1/20 0.49
ESR2 Q92731 1/20 0.49

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
SCHEMBL8776813 0.86 TSHR (0.61) ALDH1A1CYP2C9KMT2AMEN1POLB
SCHEMBL8776779 0.76 KDM4E (0.46) ALDH1A1CYP2C9KMT2AMEN1L3MBTL1
SCHEMBL1819828 0.76 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8776755 0.76 TSHR (0.58) ALDH1A1CYP2C9L3MBTL1CXCR2TDP1
SCHEMBL15897470 0.75 MAPT (0.50) ALDH1A1CYP2C9KMT2AMEN1L3MBTL1
SCHEMBL8776853 0.75 ALDH1A1 (0.64) ALDH1A1CYP2C9KMT2AMEN1POLB
SCHEMBL1827394 0.75 ALDH1A1 (0.59) ALDH1A1CYP2C9KMT2AMEN1L3MBTL1
SCHEMBL5953902 0.75 ALDH1A1 (0.64) ALDH1A1CYP2C9KMT2AMEN1L3MBTL1
SCHEMBL8883167 0.75 ALDH1A1 (0.59) ALDH1A1CYP2C9KMT2AMEN1L3MBTL1
SCHEMBL8115003 0.75 ALDH1A1 (0.59) ALDH1A1CYP2C9KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US claimed
US-20080139817-A1 Process For Producing 2-(Phenyl Methyl Thio)-3-Pyridine Carboxylic Acid JUBILANT ORGANOSYS LIMITED (IN) 2008-06-12 US claimed
WO-2005097748-A1 PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID JUBILANT ORGANOSYS LIMITED (IN) 2005-10-20 WO claimed
CN-106928134-B A kind of preparation facilities and synthetic method of nicosulfuron intermediate 山东理工大学 2019-07-16 CN disclosed
CN-106928134-A The preparation facilities and synthetic method of a kind of nicosulfuron intermediate 山东理工大学 2017-07-07 CN disclosed
US-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US disclosed
US-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US disclosed
US-20080139817-A1 Process For Producing 2-(Phenyl Methyl Thio)-3-Pyridine Carboxylic Acid JUBILANT ORGANOSYS LIMITED (IN) 2008-06-12 US disclosed
US-20080139817-A1 Process For Producing 2-(Phenyl Methyl Thio)-3-Pyridine Carboxylic Acid JUBILANT ORGANOSYS LIMITED (IN) 2008-06-12 US disclosed
WO-2005097748-A1 PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID JUBILANT ORGANOSYS LIMITED (IN) 2005-10-20 WO disclosed
WO-2005097748-A1 PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID JUBILANT ORGANOSYS LIMITED (IN) 2005-10-20 WO disclosed