SCHEMBL4566930

SCHEMBL4566930

O=[N+]([O-])c1cccc(CSCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 9/20 0.52
LMNA P02545 6/20 0.52
MAPT P10636 3/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 2/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL3240297 0.87 TSHR (0.65) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL1821090 0.84 TSHR (0.54) TSHRALDH1A1LMNAMAPTHPGD
SCHEMBL15022885 0.84 TSHR (0.54) TSHRALDH1A1LMNAMAPTHPGD
SCHEMBL14785027 0.82 TSHR (0.59) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL16386112 0.81 EPHX1 (0.48) TSHRALDH1A1LMNAMAPTHPGD
SCHEMBL14060334 0.81 TSHR (0.57) TSHRALDH1A1LMNAMAPTHPGD
SCHEMBL16386110 0.81 TSHR (0.50) TSHRALDH1A1LMNAMAPTHPGD
SCHEMBL14873550 0.80 TSHR (0.61) TSHRALDH1A1LMNAMAPTHTT
SCHEMBL1203949 0.80 CYP2C19 (0.62) TSHRALDH1A1LMNAMAPTHPGD
SCHEMBL8330289 0.80 CYP1A2 (0.58) TSHRALDH1A1LMNAMAPTCYP1A2

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-2121637-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE Smithkline Beecham Corporation (US) 2009-11-25 EP disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed
US-4659370-A Substituted phenoxypropionates and herbicidal compositions containing same and their herbicidal use NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-04-21 US disclosed
US-4614536-A Certain pyridyloxy-phenoxy-propionate derivatives, herbicidal compositions containing same and their herbicidal method of use NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1986-09-30 US disclosed
EP-0092112-B1 SUBSTITUTED PHENOXY PROPIONATES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-03-06 EP disclosed
US-4500346-A Substituted phenoxypropionates and herbicidal compositions containing same and their herbicidal use NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-02-19 US disclosed
EP-0092112-A1 Substituted phenoxy propionates NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-10-26 EP disclosed