SCHEMBL7541753

SCHEMBL7541753

CC(=O)Nc1ccc(SCc2nc3cc(F)ccc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.56
▸ ALOX5 P09917 1/20 0.55
▸ EPHX2 P34913 1/20 0.55
▸ PDPK1 O15530 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MOK Q9UQ07 1/20 0.41
▸ RECQL P46063 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
SCHEMBL7548719 0.84 ALOX5 (0.68) DYRK1AALOX5EPHX2GAAMAPT
SCHEMBL7548790 0.80 ALOX5 (0.59) DYRK1AALOX5EPHX2MAPTRAB9A
SCHEMBL7544690 0.78 MAPT (0.60) DYRK1AALOX5EPHX2HDAC6GAA
SCHEMBL5376865 0.76 POLB (0.47) DYRK1AALOX5EPHX2TRPV1GAA
SCHEMBL5378671 0.74 TRPV1 (0.45) ALOX5EPHX2TRPV1GAAMAPT
SCHEMBL7551697 0.73 ALOX5 (0.66) ALOX5EPHX2MAPTRAB9ANPC1
SCHEMBL9335106 0.71 HDAC6 (0.41) DYRK1AALOX5EPHX2TRPV1HDAC6
SCHEMBL7546710 0.71 MAPT (0.57) DYRK1AALOX5EPHX2PDPK1GAA
SCHEMBL27470121 0.71 DYRK1A (0.52) DYRK1APDPK1TRPV1HDAC6ALDH1A1
SCHEMBL7541209 0.70 ALOX5 (0.54) DYRK1AALOX5EPHX2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 — — EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 — — US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 — — EP disclosed
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