SCHEMBL9786648

SCHEMBL9786648

Cc1[nH]c(=S)[nH]c1C(=S)Nc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL9786587 0.83 MAPT (0.50) LMNAMEN1KMT2APOLBGAA
SCHEMBL9787252 0.71 PDE4A (0.45) LMNAMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9786663 0.70 KDM4E (0.32) KDM4E
SCHEMBL9786605 0.66 RAB9A (0.60) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL11738124 0.66 MEN1 (0.62) LMNAMEN1KMT2APOLBGAA
SCHEMBL10099725 0.65 GAA (0.83) LMNAMEN1KMT2APOLBGAA
SCHEMBL4737020 0.64 MAOB (0.51) LMNAMEN1KMT2APOLBGAA
SCHEMBL6302055 0.63 GAA (0.64) LMNAMEN1KMT2APOLBGAA
SCHEMBL20560273 0.62 GAA (0.57) LMNAMEN1KMT2APOLBGAA
SCHEMBL4501719 0.62 GAA (0.57) LMNAMEN1KMT2APOLBGAA

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
US-5002961-A Antiischemic Agents, Preventing Reperfusion Injuries MERRELL DOW PHARMACEUTICALS (US) 1991-03-26 — — US disclosed
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