SCHEMBL13037656

SCHEMBL13037656

N#Cc1ccc2c(ccc3cc(C#N)ccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
CYP2A6 P11509 2/20 0.48
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
NCEH1 Q6PIU2 2/20 0.45
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 1/20 0.43
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 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
SCHEMBL12310183 0.97 CA2 (0.53) CA2CA1CYP2A6IMPDH2IMPDH1
SCHEMBL12320904 0.97 CA2 (0.53) CA2CA1CYP2A6IMPDH2IMPDH1
SCHEMBL12317665 0.95 CA1 (0.52) CA2CA1CYP2A6IMPDH2IMPDH1
SCHEMBL28174467 0.93 CA1 (0.50) CA2CA1CYP2A6IMPDH2IMPDH1
SCHEMBL12317667 0.93 CA1 (0.50) CA2CA1CYP2A6IMPDH2IMPDH1
SCHEMBL1344052 0.89 CA1 (0.67) CA2CA1CYP2A6CYP1A1CYP1A2
SCHEMBL18825325 0.87 CA1 (0.46) CA2CA1CYP2A6IMPDH2IMPDH1
SCHEMBL12310187 0.87 CA1 (0.65) CA2CA1CYP2A6CYP1A1CYP1A2
SCHEMBL12320895 0.87 CA1 (0.65) CA2CA1CYP2A6CYP1A1CYP1A2
SCHEMBL18852193 0.87 CYP2A6 (0.52) CA2CA1CYP2A6IMPDH2IMPDH1

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-20100280216-A1 METHOD OF PREPARING ORGANIC POROUS SOLIDS AND SOLIDS OBTAINABLE BY THIS METHOD MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2010-11-04 US disclosed
US-20100280216-A1 METHOD OF PREPARING ORGANIC POROUS SOLIDS AND SOLIDS OBTAINABLE BY THIS METHOD MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2010-11-04 US disclosed
EP-2014699-B1 Method of preparing organic porous solids and solids obtainable by this method MAX PLANCK GESELLSCHAFT (DE) 2009-09-02 EP disclosed
EP-2014699-A1 Method of preparing organic porous solids and solids obtainable by this method Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-01-14 EP disclosed