SCHEMBL444504

SCHEMBL444504

c1cc(-c2ccc3cnccc3c2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.63
CLK1 P49759 1/20 0.52
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
CYP19A1 P11511 4/20 0.50
CYP17A1 P05093 3/20 0.50
TDO2 P48775 1/20 0.49
DYRK1A Q13627 3/20 0.49
MAP4K4 O95819 2/20 0.49
CLK2 P49760 2/20 0.49
ROCK1 Q13464 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
CDK8 P49336 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49
ACVR1 Q04771 1/20 0.49
LRRK2 Q5S007 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL29650645 0.91 PRKCZ (0.75) PRKCZCLK1CYP11B1CYP11B2CYP19A1
SCHEMBL3322974 0.91 PRKCZ (0.75) PRKCZCLK1CYP11B1CYP11B2CYP19A1
SCHEMBL9612000 0.89 LMNA (0.61) PRKCZCLK1CYP11B1CYP11B2CYP19A1
SCHEMBL6355545 0.88 CYP11B2 (0.61) PRKCZCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL23555375 0.86 PRKCZ (0.58) PRKCZCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL29449786 0.86 CYP11B1 (0.59) PRKCZCLK1CYP11B1CYP11B2CYP19A1
SCHEMBL8338721 0.86 PRKCZ (0.58) PRKCZCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL28933997 0.86 CYP11B1 (0.59) PRKCZCLK1CYP11B1CYP11B2CYP19A1
SCHEMBL7284233 0.86 ESR2 (0.61) PRKCZCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL18891280 0.85 CYP11B1 (0.69) PRKCZCYP11B1CYP11B2CYP19A1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US claimed
EP-2433121-A1 THERMALLY STABLE SERS TAGGANTS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US claimed
WO-2010135351-A1 THERMALLY STABLE SERS TAGGANTS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
CN-113773350-A Metal complex hydrogen storage material and preparation method thereof 云南电网有限责任公司电力科学研究院 2021-12-10 CN disclosed
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US disclosed
EP-2433121-A1 THERMALLY STABLE SERS TAGGANTS Cabot Security Materials Inc. (US) 2012-03-28 EP disclosed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US disclosed
WO-2010135351-A1 THERMALLY STABLE SERS TAGGANTS OXONICA MATERIALS INC. (US) 2010-11-25 WO disclosed