SCHEMBL16397272

SCHEMBL16397272

CNc1nc(C(N)=O)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
KDM1A O60341 5/20 0.45
HTR2B P41595 1/20 0.44
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
ECE1 P42892 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AMY1A P0DUB6 1/20 0.38

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
SCHEMBL14543340 0.82 HTR2B (0.45) ACHEL3MBTL1KDM1AHTR2BMAPT
SCHEMBL12514043 0.82 KDM1A (0.58) L3MBTL1KDM1AMAPTECE1CYP2C19
SCHEMBL1809197 0.82 L3MBTL1 (0.68) ACHEL3MBTL1KDM1AMAPTECE1
SCHEMBL27792064 0.82 L3MBTL1 (0.50) ACHEL3MBTL1KDM1AHTR2BMAPT
SCHEMBL15996505 0.81 L3MBTL1 (0.45) L3MBTL1KDM1AMAPTCYP2C19CYP1A2
SCHEMBL689416 0.81 L3MBTL1 (0.72) L3MBTL1KDM1AMAPTMAPK1NPC1
SCHEMBL18236192 0.81 HPGD (0.54) L3MBTL1KDM1AMAPTECE1CYP2C19
Hydrochloric Acid SCHEMBL12080962 0.81 L3MBTL1 (0.66) ACHEL3MBTL1KDM1AMAPTECE1
SCHEMBL30889023 0.80 HDAC3 (0.48) ACHEL3MBTL1KDM1AHTR2BCA12
SCHEMBL16450798 0.79 L3MBTL1 (0.50) ACHEL3MBTL1KDM1AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 CN disclosed
CN-109729716-B PI3K inhibitor combination 拜耳制药股份公司 2022-03-15 CN disclosed
CN-105934256-B PI3K inhibitor combination 拜耳制药股份公司 2019-12-27 CN disclosed
EP-3262035-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2018-01-03 EP disclosed
CN-107406427-A Alkynyl alcohols and methods of use thereof 豪夫迈·罗氏有限公司 2017-11-28 CN disclosed
WO-2016135163-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 WO disclosed
EP-3021862-A2 PEPTIDE EPOXYKETONE PROTEASOME INHIBITORS IN COMBINATION WITH PIM KINASE INHIBITORS FOR TREATMENT OF CANCERS Onyx Therapeutics, Inc. (US) 2016-05-25 EP disclosed
WO-2015009888-A2 PEPTIDE EPOXYKETONE PROTEASOME INHIBITORS IN COMBINATION WITH PIM KINASE INHIBITORS FOR TREATMENT OF CANCERS ONYX THERAPEUTICS, INC. (US) 2015-01-22 WO disclosed