SCHEMBL5676154

SCHEMBL5676154

CNCCNC(=O)c1[nH]c2c[c]ccc2c1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
EGFR P00533 3/20 0.32
CDK2 P24941 2/20 0.32
CHEK1 O14757 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL4882865 0.72 NR4A2 (0.40)
SCHEMBL5896514 0.68 KDM4E (0.33) ITGB3ITGA2B
SCHEMBL3038367 0.65 LMNA (0.47) HDAC1
SCHEMBL5676146 0.64 JAK2 (0.35) ITGB3ITGA2BCHEK1HDAC3HDAC1
SCHEMBL2734801 0.61 NR4A2 (0.40)
SCHEMBL5670227 0.61 MAP2 (0.40)
SCHEMBL166213 0.58 ALDH1A1 (0.39)
SCHEMBL18824256 0.57 MAP2 (0.62)
SCHEMBL4434210 0.57 HTR6 (0.44)
SCHEMBL2466230 0.57 JAK2 (0.42) ITGB3ITGA2BCDK2

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-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO disclosed