SCHEMBL15399684

SCHEMBL15399684

c1cn(Cc2ccc3cc(Cn4ccnc4)ccc3c2)cn1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.87
TBXAS1 P24557 2/20 0.76
CYP11B1 P15538 5/20 0.65
CYP11B2 P19099 4/20 0.65
CYP2A6 P11509 1/20 0.65
CYP2B6 P20813 1/20 0.65

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
SCHEMBL8865557 0.93 CYP19A1 (1.00) CYP19A1TBXAS1CYP11B1CYP11B2
Bromide SCHEMBL27949879 0.92 CYP19A1 (0.97) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL10679387 0.92 CYP19A1 (0.74) CYP19A1TBXAS1CYP11B1CYP11B2CYP2A6
SCHEMBL10975737 0.92 CYP19A1 (0.74) CYP19A1TBXAS1CYP11B1CYP11B2CYP2A6
Bromide SCHEMBL27949880 0.92 CYP19A1 (0.97) CYP19A1TBXAS1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11499390 0.89 CYP19A1 (0.70) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL1024261 0.86 CYP11B1 (0.84) CYP19A1TBXAS1CYP11B1CYP11B2CYP2A6
SCHEMBL10531228 0.85 TBXAS1 (1.00) CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL10671782 0.84 TBXAS1 (0.97) CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL1775141 0.84 CYP11B1 (0.81) CYP19A1TBXAS1CYP11B1CYP11B2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975413-B2 Method of preparing radioisotope nanostructure with ligand-metal framework and application KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2015-03-10 US claimed
US-20140005407-A1 METHOD OF PREPARING RADIOISOTOPE NANOSTRUCTURE WITH LIGAND-METAL FRAMEWORK AND APPLICATION KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2014-01-02 US claimed
US-8975413-B2 Method of preparing radioisotope nanostructure with ligand-metal framework and application KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2015-03-10 US disclosed
US-20140005407-A1 METHOD OF PREPARING RADIOISOTOPE NANOSTRUCTURE WITH LIGAND-METAL FRAMEWORK AND APPLICATION KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2014-01-02 US disclosed