SCHEMBL4224997

SCHEMBL4224997

Cc1ccc(C=Cn2ccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
MAOB P27338 1/20 0.46
CYP19A1 P11511 3/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NFE2L2 Q16236 1/20 0.38
CYP2A6 P11509 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
QPCT Q16769 1/20 0.36
RELA Q04206 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL7158047 0.81 TBXAS1 (0.48) TBXAS1PDE3BPDE3AMAOBCYP19A1
SCHEMBL8927292 0.81 TBXAS1 (0.48) TBXAS1PDE3BPDE3AMAOBCYP19A1
SCHEMBL28804154 0.81 MAOB (0.49) TBXAS1PDE3BPDE3AMAOBCYP19A1
SCHEMBL27896691 0.80 TBXAS1 (0.48) TBXAS1PDE3BPDE3ACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL27553888 0.80 TBXAS1 (0.47) TBXAS1PDE3BPDE3AMAOBCYP19A1
SCHEMBL11364719 0.79 MEN1 (0.49) TBXAS1PDE3BPDE3ACYP19A1CYP11B1
SCHEMBL11373900 0.76 TBXAS1 (0.44) TBXAS1PDE3BPDE3ACYP19A1FNTA
P-Xylene SCHEMBL29257669 0.76 CYP19A1 (0.47) MAOBCYP19A1CYP11B1CYP11B2ALDH1A1
P-Xylene SCHEMBL29257667 0.74 CYP19A1 (0.46) MAOBCYP19A1CYP11B1CYP11B2ALDH1A1
P-Xylene SCHEMBL29257668 0.74 CYP19A1 (0.46) MAOBCYP19A1CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260081-B1 SILICA ENCAPSULATED ORGANIC NANOPIGMENTS AND METHOD OF MAKING SAME XEROX CORP (US) 2014-11-26 EP disclosed
US-8815394-B2 Encapsulated nanoscale particles of organic pigments XEROX CORPORATION (US) 2014-08-26 US disclosed
US-8287637-B2 Silica encapsulated organic nanopigments and method of making same XEROX CORPORATION (US) 2012-10-16 US disclosed
CN-102015925-A Encapsulated nanoscale particles of organic pigments XEROX CORP 2011-04-13 CN disclosed
US-20090246674-A1 SILICA ENCAPSULATED ORGANIC NANOPIGMENTS AND METHOD OF MAKING SAME XEROX CORPORATION (US) 2009-10-01 US disclosed
US-20090227711-A1 ENCAPSULATED NANOSCALE PARTICLES OF ORGANIC PIGMENTS XEROX CORPORATION (US) 2009-09-10 US disclosed