SCHEMBL8326540

SCHEMBL8326540

N#CC=CCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALOX5 P09917 1/20 0.43
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.41
MAOB P27338 3/20 0.41
TK1 P04183 1/20 0.40
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.38
MAP3K7 O43318 1/20 0.37
TAB1 Q15750 1/20 0.37
NAAA Q02083 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL10315965 1.00 TSHR (0.50) TSHRALOX5IDO1AGXTMAOB
SCHEMBL7058069 0.82 TSHR (0.47) TSHRIDO1AGXTMAOBCTSL
SCHEMBL1524411 0.82 TSHR (0.67) TSHRALOX5IDO1AGXTMAOB
SCHEMBL1524101 0.82 TSHR (0.67) TSHRALOX5IDO1AGXTMAOB
SCHEMBL1524098 0.82 TSHR (0.67) TSHRALOX5IDO1AGXTMAOB
SCHEMBL7431120 0.80 MAOB (0.39) ALOX5IDO1AGXTMAOB
Ammonia Solution, Strong SCHEMBL7095980 0.80 TSHR (0.64) TSHRALOX5IDO1AGXTMAOB
SCHEMBL15474240 0.80 TSHR (0.44) TSHRIDO1AGXTMAOBCTSL
SCHEMBL10315968 0.80 TSHR (0.44) TSHRIDO1AGXTMAOBCTSL
SCHEMBL3805959 0.75 TSHR (0.56) TSHRALOX5IDO1AGXTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed
CN-116783191-A Tricyclic carboxamide derivatives as PRMT5 inhibitors 美国安进公司 2023-09-19 CN disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
US-5464860-A Antiepileptic agents NOVAPHARME (FR) 1995-11-07 US disclosed