SCHEMBL9747122

SCHEMBL9747122

N#Cc1ccc(Oc2cccc(Oc3ccc(CF)cc3)c2)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
MAOB P27338 4/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
MAOA P21397 2/20 0.46
AR P10275 6/20 0.45
NPSR1 Q6W5P4 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
PDE4B Q07343 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP1 Q9C000 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL9747888 0.94 MAOB (0.50) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL9746014 0.91 CYP19A1 (0.52) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL9746473 0.91 CYP19A1 (0.52) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL13908822 0.87 CYP19A1 (0.65) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL1374021 0.85 CYP19A1 (0.67) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL5145150 0.85 CYP19A1 (0.67) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL31168160 0.85 CYP19A1 (0.67) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL9745656 0.84 ALDH1A1 (0.61) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL5143806 0.84 ALDH1A1 (0.61) CYP19A1MAOBALDH1A1HPGDMAOA
SCHEMBL9746946 0.84 ALDH1A1 (0.61) CYP19A1MAOBALDH1A1HPGDMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118431-A Phthalonitriles and phthalocyanines as lubricity-enhancing additives THE DOW CHEMICAL COMPANY (US) 1992-06-02 US disclosed
US-5061388-A Novel phthalonitriles and phthalocyanines as lubricity-enhancing additives THE DOW CHEMICAL COMPANY (US) 1991-10-29 US disclosed