SCHEMBL7588280

SCHEMBL7588280

N#Cc1c(CCCCCCn2ccnc2)ccc(CCCCCCn2ccnc2)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.56
HMOX1 P09601 1/20 0.51
CYP19A1 P11511 2/20 0.46

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
SCHEMBL29004413 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL29004411 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL937530 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL939851 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL1679410 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL285054 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL2533366 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL2532389 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL2535103 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL10247600 0.75 TBXAS1 (1.00) TBXAS1

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
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed