SCHEMBL9211561

SCHEMBL9211561

CC1CSC(c2cc([N+](=O)[O-])ccc2Cl)S1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
VCAM1 P19320 1/20 0.40
LMNA P02545 3/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL7713388 0.81 HSD17B10 (0.53) HSD17B10HTTALDH1A1SMN1; SMN2MAPT
SCHEMBL8360021 0.69 HSD17B10 (0.53) HSD17B10HTTALDH1A1SMN1; SMN2MAPT
SCHEMBL15820182 0.68 ALDH1A1 (0.46) HSD17B10HTTALDH1A1SMN1; SMN2MAPT
SCHEMBL15819998 0.67 HSD17B10 (0.46) HSD17B10HTTALDH1A1SMN1; SMN2MAPT
SCHEMBL15820141 0.67 GAA (0.48) HSD17B10HTTALDH1A1SMN1; SMN2MAPT
SCHEMBL29360183 0.66 HSD17B10 (1.00) HSD17B10ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL85918 0.66 HSD17B10 (1.00) HSD17B10ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL22609007 0.65 CHRNB4 (0.55) HSD17B10HTTALDH1A1SMN1; SMN2MAPT
SCHEMBL29887218 0.65 HSD17B10 (0.47) HSD17B10HTTALDH1A1SMN1; SMN2MAPT
SCHEMBL305393 0.65 ALDH1A1 (0.67) HSD17B10HTTALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414112-B1 Herbicides thiadiazabicyclononan derivatives BASF AG (DE) 1995-12-20 EP disclosed
EP-0398115-B1 Herbicidal n-phenyltetrahydrophthalimides, preparation and compositions BASF AG (DE) 1995-01-04 EP disclosed
US-5106408-A Pre- and postemergence BASF AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
EP-0414112-A2 Herbicides thiadiazabicyclononan derivatives BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed
EP-0398115-A1 Herbicidal n-phenyltetrahydrophthalimides, preparation and compositions BASF Aktiengesellschaft (DE) 1990-11-22 EP disclosed