SCHEMBL1562452

SCHEMBL1562452

C=CC(=O)NCCNCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CA5B Q9Y2D0 4/20 0.46
CA12 O43570 3/20 0.46
CA6 P23280 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA3 P07451 3/20 0.46
CA5A P35218 3/20 0.46
LMNA P02545 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA1 P00915 1/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2010719 1.00 ZDHHC20 (0.50) ZDHHC20ZDHHC2TDP1ALDH1A1TSHR
Carbon Dioxide SCHEMBL28471747 0.94 ZDHHC20 (0.46) ZDHHC20ZDHHC2TDP1ALDH1A1TSHR
Trimethylammonium SCHEMBL27623503 0.93 ZDHHC20 (0.49) ZDHHC20ZDHHC2TDP1ALDH1A1TSHR
SCHEMBL15271120 0.92 CASP2 (0.50) ZDHHC20ZDHHC2TDP1ALDH1A1TSHR
SCHEMBL3901763 0.89 ALDH1A1 (0.59) ZDHHC20ZDHHC2TDP1ALDH1A1TSHR
SCHEMBL108752 0.87
Bromide SCHEMBL3808860 0.85
Hydrochloric Acid SCHEMBL28468699 0.85 TSHR (0.54) ZDHHC20ZDHHC2TDP1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL28468701 0.85 TSHR (0.54) ZDHHC20ZDHHC2TDP1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL522224 0.85

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173878-B1 PROBES FOR A GAS PHASE ION SPECTROMETER BIO RAD LABORATORIES (US) 2011-04-06 EP claimed
US-7205156-B2 Probes for a gas phase ion spectrometer BIO-RAD LABORATORIES, INC. (US) 2007-04-17 US claimed
CN-1204592-C Probes for gas phase ion spectrometer CIPHERGEN BIOSYSTEMS INC (US) 2005-06-01 CN claimed
US-6897072-B1 Probes for a gas phase ion spectrometer CIPHERGEN BIOSYSTEMS, INC. (US) 2005-05-24 US claimed
CN-1360732-A Probes for gas phase ion spectrometer CIPHERGEN BIOSYSTEMS INC (US) 2002-07-24 CN claimed
EP-1173878-A2 PROBES FOR A GAS PHASE ION SPECTROMETER Ciphergen Biosystems, Inc. (US) 2002-01-23 EP claimed
WO-2000066265-A9 PROBES FOR A GAS PHASE ION SPECTROMETER CIPHERGEN BIOSYSTEMS INC (US) 2001-09-07 WO claimed
WO-2000066265-A2 PROBES FOR A GAS PHASE ION SPECTROMETER CIPHERGEN BIOSYSTEMS, INC. (US) 2000-11-09 WO claimed
CN-111825796-B For CO2Adsorbed polyacrylate composite material and preparation method thereof 武汉汇碳科技有限公司 2022-02-01 CN disclosed
US-10975350-B2 Cell culture substrate and method of making thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-04-13 US disclosed
CN-111825796-A For CO2Adsorbed polyacrylate composite material and preparation method thereof 武汉汇碳科技有限公司 2020-10-27 CN disclosed
CN-107921373-A Radiation-hardenable composition, the manufacture of film and film and purposes 富士胶片制造欧洲有限公司 2018-04-17 CN disclosed
US-20150293081-A1 ANALYTE-MEASURING SENSOR JNC CORPORATION (JP) 2015-10-15 US disclosed
CN-104974443-A Preparation method and application of hydrophobic/hydrophilic post-crosslinked interpenetrating polymer networks UNIV CENTRAL SOUTH 2015-10-14 CN disclosed
EP-1508042-A2 BIOCHIPS WITH SURFACES COATED WITH POLYSACCHARIDE BASED HYDROGELS Ciphergen Biosystems, Inc. (US) 2005-02-23 EP disclosed
WO-2003093785-A2 BIOCHIPS WITH SURFACES COATED WITH POLYSACCHARIDE BASED HYDROGELS CIPHERGEN BIOSYSTEMS, INC. (US) 2003-11-13 WO disclosed
CN-1360732-A Probes for gas phase ion spectrometer CIPHERGEN BIOSYSTEMS INC (US) 2002-07-24 CN disclosed
EP-1173878-A2 PROBES FOR A GAS PHASE ION SPECTROMETER Ciphergen Biosystems, Inc. (US) 2002-01-23 EP disclosed
WO-2000066265-A9 PROBES FOR A GAS PHASE ION SPECTROMETER CIPHERGEN BIOSYSTEMS INC (US) 2001-09-07 WO disclosed
WO-2000066265-A2 PROBES FOR A GAS PHASE ION SPECTROMETER CIPHERGEN BIOSYSTEMS, INC. (US) 2000-11-09 WO disclosed