SCHEMBL12583094

SCHEMBL12583094

O=C(NCC1CC1)c1n[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 0.64
▸ DYRK1A Q13627 2/20 0.57
▸ CDK2 P24941 1/20 0.54
▸ CDK16 Q00536 1/20 0.54

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
SCHEMBL12582502 0.84 GSK3B (0.54) GSK3BDYRK1ACDK2CDK16
SCHEMBL12583332 0.84 GSK3B (0.49) GSK3BDYRK1A
SCHEMBL12044000 0.83 GSK3B (0.53) GSK3BDYRK1ACDK2CDK16
SCHEMBL15197726 0.83 GSK3B (0.53) GSK3BDYRK1ACDK2CDK16
SCHEMBL1964261 0.83 GSK3B (0.53) GSK3BDYRK1ACDK2CDK16
SCHEMBL13513573 0.82 GSK3B (0.47) GSK3BDYRK1ACDK2CDK16
SCHEMBL15210880 0.80 GSK3B (0.78) GSK3BDYRK1ACDK2CDK16
Hydrochloric Acid SCHEMBL15210531 0.79 GSK3B (0.76) GSK3BDYRK1ACDK2CDK16
SCHEMBL4791019 0.78 KDM4E (0.57) GSK3BCDK2
SCHEMBL30648568 0.78 KDM4E (0.57) GSK3BCDK2

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
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 — — EP disclosed
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