SCHEMBL2016931

SCHEMBL2016931

NC(=O)C1(c2nccs2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
OPRL1 P41146 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RBBP9 O75884 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
EEF2K O00418 1/20 0.33
POLB P06746 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 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
SCHEMBL2053963 0.98 LMNA (0.36) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL3797646 0.95 ALDH1A1 (0.35) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL2040851 0.91 LMNA (0.39) LMNAALDH1A1TSHROPRL1L3MBTL1
SCHEMBL2037379 0.85 PDE4A (0.34) LMNAALDH1A1TSHROPRL1L3MBTL1
SCHEMBL2035833 0.85 AKR1C1 (0.42) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL2037649 0.85 AKR1C1 (0.42) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL28088924 0.80 CNR2 (0.38) LMNAALDH1A1TSHROPRL1L3MBTL1
SCHEMBL30627103 0.80 CYP3A4 (0.37) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL2035761 0.75 OPRL1 (0.40) LMNAALDH1A1TSHROPRL1L3MBTL1
SCHEMBL2046607 0.75 ALDH1A1 (0.34) ALDH1A1TSHROPRL1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341731-A1 METHOD FOR IDENTIFYING A COMPOUND USEFUL IN MITIGATING AND/OR THE TREATMENT OF A DISEASE ASSOCIATED WITH ABNORMAL ASTROCYTIC FUNCTION Celica BIOMEDICAL (SI) 2018-07-04 EP claimed
WO-2017060367-A1 METHOD FOR IDENTIFYING A COMPOUND USEFUL IN MITIGATING AND/OR THE TREATMENT OF A DISEASE ASSOCIATED WITH ABNORMAL ASTROCYTIC FUNCTION CELICA BIOMEDICAL (SI) 2017-04-13 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
EP-3341731-A1 METHOD FOR IDENTIFYING A COMPOUND USEFUL IN MITIGATING AND/OR THE TREATMENT OF A DISEASE ASSOCIATED WITH ABNORMAL ASTROCYTIC FUNCTION Celica BIOMEDICAL (SI) 2018-07-04 EP disclosed
WO-2017060367-A1 METHOD FOR IDENTIFYING A COMPOUND USEFUL IN MITIGATING AND/OR THE TREATMENT OF A DISEASE ASSOCIATED WITH ABNORMAL ASTROCYTIC FUNCTION CELICA BIOMEDICAL (SI) 2017-04-13 WO disclosed
EP-2988744-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 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-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-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed