Sugi Predict

Sugi Predict / Compounds / SCHEMBL9596385

SCHEMBL9596385

SCHEMBL9596385

CC(=O)N(C)c1ccc2c(c1)C(n1ccccc1=O)C(O)C(C)(C)C2=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.42
▸ POLB P06746 1/20 0.31
▸ BAZ2B Q9UIF8 1/20 0.30
▸ BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL9588118 0.89 PDK2 (0.38) PDK2POLB
SCHEMBL9588271 0.80 DRD2 (0.34) PDK2
SCHEMBL9589012 0.80 ALDH1A1 (0.36) PDK2POLB
SCHEMBL9588012 0.80 IDO1 (0.34) PDK2
SCHEMBL9587643 0.79 ALDH1A1 (0.32) POLB
SCHEMBL9702059 0.79 ALDH1A1 (0.32) POLB
SCHEMBL9598283 0.78 ABCC9 (0.40) PDK2
SCHEMBL9704036 0.78 ABCC9 (0.40) PDK2
SCHEMBL9587842 0.78 MEN1 (0.41) PDK2
SCHEMBL9701823 0.78 MEN1 (0.41) PDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208246-A Hypotensive, bronchodilator J. URIACH & CIA. (ES) 1993-05-04 — — US claimed
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 — — EP claimed
US-5272170-A Tetralones with pharmacological activity J. URIACH & CIA., S.A. (ES) 1993-12-21 — — US disclosed
US-5208246-A Hypotensive, bronchodilator J. URIACH & CIA. (ES) 1993-05-04 — — US disclosed