SCHEMBL2035833

SCHEMBL2035833

O=C(O)C1(c2nccs2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.42
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 3/20 0.34
POLB P06746 3/20 0.33
HDAC4 P56524 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2037649 1.00 AKR1C1 (0.42) AKR1C1OPRL1ALDH1A1MEN1KMT2A
SCHEMBL2035761 0.91 OPRL1 (0.40) AKR1C1OPRL1ALDH1A1TSHRKDM4E
SCHEMBL2016931 0.85 LMNA (0.38) OPRL1ALDH1A1MEN1KMT2ATSHR
SCHEMBL2053963 0.83 LMNA (0.36) OPRL1ALDH1A1MEN1KMT2ATSHR
SCHEMBL2035878 0.82 KDM4E (0.35) OPRL1ALDH1A1MEN1KMT2ATSHR
SCHEMBL30627103 0.81 CYP3A4 (0.37) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL3797646 0.79 ALDH1A1 (0.35) OPRL1ALDH1A1MEN1KMT2ATSHR
SCHEMBL2040127 0.78 OPRL1 (0.35) OPRL1ALDH1A1LMNAL3MBTL1
SCHEMBL30627157 0.76 CYP3A4 (0.38) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL2040851 0.75 LMNA (0.39) OPRL1ALDH1A1TSHRLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2988744-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP claimed
EP-2934525-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP claimed
WO-2014176210-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO claimed
WO-2014100314-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO claimed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP claimed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO claimed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO claimed
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
CN-116669722-A Interleukin-1 receptor-related kinase (IRAK) degradants and uses thereof 凯麦拉医疗公司 2023-08-29 CN disclosed
EP-2988749-A1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP disclosed
EP-2988744-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP disclosed
EP-2934525-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
EP-2827890-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR The University of Queensland (AU) 2015-01-28 EP disclosed
WO-2014176210-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed
WO-2014176216-A1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed
WO-2014100314-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
WO-2013138871-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2013-09-26 WO disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed