SCHEMBL14540791

SCHEMBL14540791

CC(C)(C)C(=O)N1N=C(C(C)(C)C)CC1c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 8/20 0.74
▸ PDE5A O76074 7/20 0.59
▸ KIF11 P52732 2/20 0.57
▸ PRKCZ Q05513 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL14540797 0.87 PDE5A (0.60) RIPK1PDE5AKIF11PRKCZ
SCHEMBL18255056 0.85 RIPK1 (1.00) RIPK1KIF11
SCHEMBL18248363 0.83 RIPK1 (0.74) RIPK1KIF11
SCHEMBL14541223 0.82 PDE5A (0.62) RIPK1PDE5AALDH1A1MAPT
SCHEMBL14540792 0.79 PDE5A (0.61) RIPK1PDE5APRKCZ
SCHEMBL25369066 0.76 PDE5A (0.64) RIPK1PDE5APRKCZ
SCHEMBL12494881 0.74 PDE5A (1.00) PDE5APRKCZALDH1A1MAPT
SCHEMBL18248356 0.74 RIPK1 (1.00) RIPK1
SCHEMBL18248359 0.74 RIPK1 (1.00) RIPK1
SCHEMBL18248275 0.74 RIPK1 (1.00) RIPK1

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-2007038425-A2 ANTI-VIRAL COMPOUINDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-05 — — WO disclosed
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