SCHEMBL4304277

SCHEMBL4304277

COc1cc(C=CNC(=O)CSc2cc(C)nc3ccccc23)cc(C#N)c1OC

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL4304271 1.00 ALDH1A1 (0.53) ALDH1A1
SCHEMBL7996729 0.77 ALDH1A1 (0.76) ALDH1A1
SCHEMBL2977980 0.74 ALDH1A1 (0.76) ALDH1A1
SCHEMBL2977982 0.74 ALDH1A1 (0.76) ALDH1A1
Hydrochloric Acid SCHEMBL944142 0.73 — —
Hydrochloric Acid SCHEMBL944140 0.73 — —
SCHEMBL8001294 0.70 ALDH1A1 (0.53) ALDH1A1
SCHEMBL7987570 0.69 ALDH1A1 (0.52) ALDH1A1
SCHEMBL943064 0.69 ALDH1A1 (0.71) ALDH1A1
SCHEMBL4316163 0.69 GAA (0.72) ALDH1A1

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
WO-2009143178-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2009-11-26 — — WO disclosed
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