SCHEMBL27692291

SCHEMBL27692291

C[SH]=C(N)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.62
▸ ROCK1 Q13464 5/20 0.62
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 7/20 0.53
▸ JAK2 O60674 3/20 0.53
▸ MAOB P27338 2/20 0.52
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ PRKG1 Q13976 1/20 0.51
▸ PRKD2 Q9BZL6 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ SGK2 Q9HBY8 1/20 0.51
▸ STK17A Q9UEE5 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ TMIGD3 P0DMS9 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ JAK1 P23458 2/20 0.49

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
SCHEMBL5225654 0.80 ROCK2 (0.72) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL30933139 0.80 ROCK2 (0.72) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL5823137 0.80 ROCK2 (0.63) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL10310329 0.80 ROCK2 (0.63) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL2565558 0.77 ROCK2 (1.00) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL21341425 0.76 ROCK2 (0.58) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL1163706 0.75 ROCK2 (0.74) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL20611859 0.75 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL5564049 0.74 MKNK1 (0.60) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL2569041 0.74 ROCK2 (0.63) ROCK2ROCK1NPC1RAB9AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-88100129-A The preparation method of sweeting agent guanidoacetic acid and ethanamidine guanidine-acetic acid derivative and the prescription that contains this class sweeting agent — 1988-07-27 — — CN disclosed
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