SCHEMBL5377310

SCHEMBL5377310

[c]1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.33
DCUN1D2 Q6PH85 1/20 0.33
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6928413 0.94 DCUN1D1 (0.33) DCUN1D1DCUN1D2AKT1AKT2LMNA
SCHEMBL4712959 0.82 DCUN1D1 (0.36) DCUN1D1DCUN1D2
SCHEMBL3397570 0.81 DCUN1D1 (0.47) DCUN1D1DCUN1D2AKT1AKT2LMNA
SCHEMBL29499607 0.81 DCUN1D1 (0.47) DCUN1D1DCUN1D2AKT1AKT2LMNA
SCHEMBL732914 0.80 AKT2 (0.37) AKT1AKT2LMNA
SCHEMBL29034386 0.78 DCUN1D1 (0.45) DCUN1D1DCUN1D2AKT1AKT2LMNA
SCHEMBL5251206 0.76
SCHEMBL4705929 0.76
Water SCHEMBL7382263 0.75 NR1H2 (0.42) DCUN1D1LMNA
SCHEMBL618853 0.75 BACE1 (0.39) DCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753746-A2 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2007-02-21 EP disclosed
WO-2005105789-A2 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2005-11-10 WO disclosed
EP-0654027-A1 PRODRUGS OF IMIDAZOLE CARBOXYLIC ACIDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-24 EP disclosed