SCHEMBL21697490

SCHEMBL21697490

CC(=O)c1ccc(C(N)=O)cc1Nc1ccc(C2CCNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
P2RY14 Q15391 3/20 0.42
NAMPT P43490 1/20 0.40

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
SCHEMBL17899131 0.85 KDM1A (0.51)
SCHEMBL17899154 0.83 PARP1 (0.42)
SCHEMBL17931461 0.81 ALDH1A1 (0.45)
SCHEMBL17888665 0.78 AKR1C3 (0.46) SIRT2
SCHEMBL1758181 0.75 CYP2C9 (0.55) NAMPT
Hydrochloric Acid SCHEMBL3630728 0.74 CYP2C9 (0.54) NAMPT
SCHEMBL7263062 0.72 SLC18A3 (0.52) P2RY14NAMPT
SCHEMBL16465164 0.72 SYK (0.47) SIRT2
SCHEMBL28051628 0.72 CYP2C9 (0.51) P2RY14
Hydrochloric Acid SCHEMBL4005490 0.71 HTR2C (0.50) P2RY14NAMPT

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-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed