SCHEMBL7551697

SCHEMBL7551697

COC(=O)Nc1ccc(SCc2nc3ccccc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.66
▸ EPHX2 P34913 4/20 0.66
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 3/20 0.50
▸ PKM P14618 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 1/20 0.47

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 0.88 ALOX5 (0.68) ALOX5EPHX2ALDH1A1MAPTRAB9A
SCHEMBL7544973 0.80 NPC1 (0.77) ALOX5EPHX2ALDH1A1MAPTRAB9A
SCHEMBL7544690 0.76 MAPT (0.60) ALOX5EPHX2ALDH1A1MAPTRAB9A
SCHEMBL7551669 0.74 RAB9A (0.53) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL10721662 0.74 RAB9A (0.57) ALOX5EPHX2ALDH1A1MAPTRAB9A
SCHEMBL7541209 0.74 ALOX5 (0.54) ALOX5EPHX2ALDH1A1MAPTRAB9A
SCHEMBL7543882 0.73 EPHX2 (0.64) ALOX5EPHX2ALDH1A1MAPTRAB9A
SCHEMBL7549703 0.73 EPHX2 (0.79) ALOX5EPHX2ALDH1A1MAPTRAB9A
SCHEMBL7541753 0.73 DYRK1A (0.56) ALOX5EPHX2ALDH1A1MAPTRAB9A
SCHEMBL7544364 0.73 EPHX2 (0.69) ALOX5EPHX2ALDH1A1MAPTRAB9A

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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