SCHEMBL9826359

SCHEMBL9826359

c1csc(-c2cocn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
MAPK10 P53779 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL22388750 0.69 SCN9A (0.37)
SCHEMBL1781579 0.68 KDM4E (0.56) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL220022 0.68 KDM4E (0.50) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL498897 0.67 KDM4E (1.00) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL30596386 0.67 KDM4E (0.61) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL36011 0.67 KDM4E (0.61) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL3609146 0.67 HDAC4 (0.33)
SCHEMBL1379282 0.67 KDM4E (0.48) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL3545 0.67 L3MBTL1 (0.57) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL16291133 0.67 L3MBTL1 (0.57) KDM4EALDH1A1HPGDL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165753-B1 HERBICIDAL THIOPHENESULFONAMIDES AND PYRIDINESULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-11 EP disclosed
US-4723988-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4684393-A PLATN GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1987-08-04 US disclosed
EP-0165753-A2 Herbicidal thiophenesulfonamides and pyridinesulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-27 EP disclosed