SCHEMBL8632247

SCHEMBL8632247

N#Cc1ccc(Oc2cc3ccccc3cc2Oc2ccc(C#N)c(C#N)c2)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP19A1 P11511 2/20 0.53
MAOB P27338 2/20 0.51
AR P10275 10/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAOA P21397 1/20 0.45

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
SCHEMBL1940627 0.89 AR (0.57) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL30360773 0.85 ALDH1A1 (0.57) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL20510954 0.85 ALDH1A1 (0.57) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL9502758 0.85 ALDH1A1 (0.48) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL9746077 0.84 ALDH1A1 (0.57) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL9745799 0.84 ALDH1A1 (0.57) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL9747910 0.84 ALDH1A1 (0.57) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL9746114 0.84 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL6013913 0.84 AR (0.57) ALDH1A1HPGDNPSR1CYP19A1MAOB
SCHEMBL4581525 0.82 CYP19A1 (0.65) ALDH1A1HPGDNPSR1CYP19A1MAOB

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-0757702-B1 POLY (IMIDE-ETHERS) DU PONT (US) 1998-07-01 EP disclosed
US-5675020-A CHEMICAL INTERMEDIATES FOR PREPARING AROMATIC POLYIMIDES THE UNIVERSITY OF LIVERPOOL (GB) 1997-10-07 US disclosed
EP-0757702-A1 POLY (IMIDE-ETHERS) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-12 EP disclosed
WO-1995029948-A1 POLY (IMIDE-ETHERS) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-11-09 WO disclosed
US-5434240-A Films. fibers, encapsulation, thermoplastics THE UNIVERSITY OF LIVERPOOL (GB) 1995-07-18 US disclosed