SCHEMBL7713388

SCHEMBL7713388

O=[N+]([O-])c1ccc(Cl)c(C2SCCS2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
VCAM1 P19320 1/20 0.45
ALDH1A1 P00352 4/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HSP90AA1 P07900 1/20 0.41
PDE7A Q13946 1/20 0.40

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
SCHEMBL9211561 0.81 HSD17B10 (0.46) HSD17B10KMT2AHTTMAPTMEN1
SCHEMBL8360021 0.74 HSD17B10 (0.53) HSD17B10KMT2AHTTMAPTMEN1
SCHEMBL8062617 0.73 MEN1 (0.47) KMT2AHTTMAPTMEN1GAA
SCHEMBL10645133 0.72 ALDH1A1 (0.48) HSD17B10KMT2AMAPTMEN1ALOX12
SCHEMBL85918 0.70 HSD17B10 (1.00) HSD17B10KMT2AMAPTMEN1LMNA
SCHEMBL29360183 0.70 HSD17B10 (1.00) HSD17B10KMT2AMAPTMEN1LMNA
SCHEMBL10853372 0.70 HSP90AA1 (0.40) KMT2ALMNASMN1; SMN2ALDH1A1CHRNB4
SCHEMBL22609007 0.70 CHRNB4 (0.55) HSD17B10KMT2AHTTMAPTMEN1
SCHEMBL29887218 0.70 HSD17B10 (0.47) HSD17B10KMT2AHTTMAPTMEN1
SCHEMBL10858788 0.70 ERN1 (0.49) HTTMAPTLMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37664-E1 Use of derivatives of N-phenl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESSELLSCHAFT (DE) 2002-04-16 US disclosed
EP-0320677-B1 N-PHENYL TETRAHYDROPHTHALIMIDE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed
US-5089042-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5045105-A Use of derivatives of n-phenyl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0385231-A1 Use of derivatives of N-phenyl-3,4,5,6-tetrahydrophthalimide in the desiccation and abscission of plant organs BASF Aktiengesellschaft (DE) 1990-09-05 EP disclosed
EP-0320677-A1 N-phenyl tetrahydrophthalimide derivatives BASF Aktiengesellschaft (DE) 1989-06-21 EP disclosed