SCHEMBL5841869

SCHEMBL5841869

Cc1cc(C)nc(C(C)Nc2ccc(NC(=O)C3CC(=O)N(C4CCCCCC4)C3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL5844488 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL5843692 0.85 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2
SCHEMBL5843928 0.82 ALDH1A1 (0.67) ALDH1A1
SCHEMBL5842722 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2
SCHEMBL5844459 0.82 TP53 (0.63) ALDH1A1SMN1; SMN2
SCHEMBL5842727 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2
SCHEMBL5841861 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2
SCHEMBL5843662 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL5841403 0.80 MAPT (0.51) ALDH1A1SMN1; SMN2
SCHEMBL5841855 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2

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-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed