SCHEMBL420217

SCHEMBL420217

C#Cc1cnc2c(ccc3cc(C#C)cnc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.56
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
HPGDS O60760 2/20 0.39
HDAC8 Q9BY41 1/20 0.36
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
GRM5 P41594 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL1664368 0.87 CCR1 (0.57) PARP1CCR1CCR5CCR8CYP1A1
SCHEMBL11910642 0.77 HPGDS (0.59) PARP1CCR1CCR5CCR8HPGDS
SCHEMBL30492619 0.77 HPGDS (0.59) PARP1CCR1CCR5CCR8HPGDS
SCHEMBL23665600 0.74 PARP1 (0.58) PARP1CCR1CCR5CCR8CYP1A1
SCHEMBL12966775 0.72 PARP1 (0.41) PARP1CCR1CCR5CCR8HPGDS
SCHEMBL444107 0.72 ALDH1A1 (0.62) PARP1CYP1A1CYP1B1CYP2A6ALDH1A1
SCHEMBL7487430 0.72 PARP1 (0.41) PARP1CYP1A1CYP1B1HDAC8CYP2A6
SCHEMBL28503736 0.71 CCR1 (0.50) PARP1CCR1CCR5CCR8HPGDS
SCHEMBL17316253 0.70 PARP1 (0.39) PARP1CYP1A1CYP1B1EGLN1
SCHEMBL12966553 0.70 PARP1 (0.39) PARP1CCR1CCR5CCR8EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101787054-B Water-soluble cationic iridium complex phosphorescence probe and preparation method UNIV SHANGHAI 2013-04-17 CN claimed
CN-101787054-A Water-soluble cationic iridium complex phosphorescence probe and preparation method UNIV SHANGHAI 2010-07-28 CN claimed
US-20220416167-A1 OSMIUM-CONTAINING CONJUGATED POLYMER AND METHODS THEREOF XIAMEN UNIVERSITY (CN) 2022-12-29 US disclosed
WO-2021143690-A1 OSMIUM-CONTAINING CONJUGATED POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 厦门大学 2021-07-22 WO disclosed
US-9406943-B2 Electrocatalysts using porous polymers and method of preparation UCHICAGO ARGONNE, LLC (US) 2016-08-02 US disclosed
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US disclosed
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US disclosed
US-20150194681-A1 ELECTROCATALYSTS USING POROUS POLYMERS AND METHOD OF PREPARATION UCHICAGO ARGONNE, LLC (US) 2015-07-09 US disclosed
US-9012344-B2 Electrocatalysts using porous polymers and method of preparation UCHICAGO ARGONNE, LLC (US) 2015-04-21 US disclosed
US-8828729-B1 Methods and apparatus for the detection of taggants by surface enhanced raman scattering CABOT CORPORATION (US) 2014-09-09 US disclosed
US-8828729-B1 Methods and apparatus for the detection of taggants by surface enhanced raman scattering CABOT CORPORATION (US) 2014-09-09 US disclosed
CN-101787054-B Water-soluble cationic iridium complex phosphorescence probe and preparation method UNIV SHANGHAI 2013-04-17 CN disclosed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US disclosed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US disclosed
US-20110281719-A1 ELECTROCATALYSTS USING POROUS POLYMERS AND METHOD OF PREPARATION UCHICAGO ARGONNE, LLC 2011-11-17 US disclosed
CN-101787054-A Water-soluble cationic iridium complex phosphorescence probe and preparation method UNIV SHANGHAI 2010-07-28 CN disclosed