SCHEMBL4379266

SCHEMBL4379266

N#Cc1ccc(Oc2ccc(C3(Oc4ccc(C#N)c(C#N)c4)C=CC=CC3)cc2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
PDE4B Q07343 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
AR P10275 5/20 0.35
MAOB P27338 2/20 0.33
ESRRA P11474 2/20 0.32
MAOA P21397 1/20 0.32
SLC22A12 Q96S37 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
SCHEMBL7875560 0.74 ALDH1A1 (0.42) ALDH1A1HPGDMAOBMAOA
SCHEMBL1377229 0.72 CYP19A1 (0.62) CYP19A1ALDH1A1HPGDPDE4BNPSR1
SCHEMBL9472016 0.72 CYP19A1 (0.62) CYP19A1ALDH1A1HPGDPDE4BNPSR1
SCHEMBL29390509 0.71 CYP19A1 (0.65) CYP19A1ALDH1A1HPGDPDE4BNPSR1
SCHEMBL4581525 0.71 CYP19A1 (0.65) CYP19A1ALDH1A1HPGDPDE4BNPSR1
SCHEMBL1377135 0.68 ALDH1A1 (0.62) CYP19A1ALDH1A1HPGDPDE4BNPSR1
SCHEMBL29688449 0.68 ALDH1A1 (0.62) CYP19A1ALDH1A1HPGDPDE4BNPSR1
SCHEMBL18170274 0.67 CYP19A1 (0.61) CYP19A1ALDH1A1HPGDPDE4BNPSR1
SCHEMBL523446 0.66 ALDH1A1 (0.65) CYP19A1ALDH1A1HPGDPDE4BNPSR1
SCHEMBL20511087 0.66 CYP19A1 (0.56) CYP19A1ALDH1A1HPGDPDE4BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764168-B1 HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM HOFFMAN BARRETT L L C (US) 2009-11-18 EP disclosed
US-5912341-A Heteroatom-functionalized porphyrazines and multimetallic complexes and polymers derived therefrom HOFFMAN/BARRETT, L.L.C. (US) 1999-06-15 US disclosed
US-5675001-A Heteroatom-functionalized porphyrazines and multimetallic complexes and polymers derived therefrom HOFFMAN/BARRETT, L.L.C. (US) 1997-10-07 US disclosed
EP-0764168-A1 HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM Hoffman/Barrett, L.L.C. (US) 1997-03-26 EP disclosed
WO-1996028449-A1 HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM HOFFMAN/BARRETT, L.L.C. (US) 1996-09-19 WO disclosed