SCHEMBL6594089

SCHEMBL6594089

NCCNC(=S)Nc1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ AOC3 Q16853 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ PRKACG P22612 1/20 0.40
▸ PRKACB P22694 1/20 0.40
▸ PRKCH P24723 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ PRKCE Q02156 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCZ Q05513 1/20 0.40
▸ PRKCD Q05655 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
SCHEMBL4506889 0.77 AOC3 (0.46) KDM4EHSD17B10LOXL2AOC3ALDH1A1
SCHEMBL3068361 0.75 GRIK1 (0.49) KDM4EHSD17B10LOXL2AOC3ALDH1A1
SCHEMBL4506884 0.73 GRIK1 (0.45) KDM4EHSD17B10LOXL2AOC3ALDH1A1
SCHEMBL3082016 0.73 GRIK1 (0.45) KDM4EHSD17B10LOXL2AOC3ALDH1A1
SCHEMBL8118597 0.73 KDM4E (0.45) KDM4EHSD17B10LOXL2AOC3ALDH1A1
SCHEMBL6589976 0.72 MEN1 (0.40) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL927313 0.70 AOC3 (0.46) KDM4EHSD17B10LOXL2AOC3ALDH1A1
SCHEMBL5493171 0.70 KDM4E (0.51) KDM4EHSD17B10AOC3ALDH1A1GAA
SCHEMBL4397993 0.70 KMT2A (0.68) HSD17B10ALDH1A1GAAMAPK1MEN1
SCHEMBL8671297 0.70 GRIK1 (0.51) KDM4EHSD17B10ALDH1A1GAAMAPK1

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-0944621-B1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2004-09-01 — — EP disclosed
CN-1092652-C 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2002-10-16 — — CN disclosed
CN-1238771-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1999-12-15 — — CN disclosed
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