SCHEMBL16760895

SCHEMBL16760895

O=C1Nc2ccccc2/C1=N\O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.62
IDO1 P14902 3/20 0.62
AGTR1 P30556 3/20 0.56
KMT2A Q03164 3/20 0.56
GALR3 O60755 2/20 0.56
POLB P06746 1/20 0.56
TDO2 P48775 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
PDGFRA P16234 1/20 0.55
FER P16591 1/20 0.55
LTK P29376 1/20 0.55
CDK8 P49336 1/20 0.55
ACVR1 Q04771 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GUSB P08236 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL1898716 1.00 LRRK2 (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL1898719 1.00 LRRK2 (0.62) LRRK2IDO1AGTR1KMT2AGALR3
Hydrochloric Acid SCHEMBL11498808 0.98 LRRK2 (0.61) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL7051809 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL8874278 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL7051810 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL7050065 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL7050064 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL8874034 0.87 MAOA (0.60) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL8874032 0.87 MAOA (0.60) LRRK2IDO1AGTR1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101816649-A Preparation method of 2,3-indolediketone-3-oxime and application in prevention and control of cancer UNIV BEIJING 2010-09-01 CN claimed
CN-101585785-A Preparation method of o-aminobenzonitrile compounds BEIJING YOURONGJIANYE TECHNOLO (CN) 2009-11-25 CN claimed
CN-1222512-A Improved amino acridine preparing process UNIV BEIJING SCIENCE & TECH (CN) 1999-07-14 CN claimed
CN-113923990-A Methods, compositions and kits for generating skeletal muscle stem cells and treating disease 约翰·霍普金斯大学 2022-01-11 CN disclosed
WO-2015082592-A2 METHOD FOR PREPARING AMINOARYLBORANE COMPOUNDS OR DERIVATIVES THEREOF Universite de Bordeaux (FR) 2015-06-11 WO disclosed
EP-2881398-A1 Method for preparing aminoarylborane compounds or derivatives thereof Université de Bordeaux I (FR) 2015-06-10 EP disclosed
CN-101816649-A Preparation method of 2,3-indolediketone-3-oxime and application in prevention and control of cancer UNIV BEIJING 2010-09-01 CN disclosed
CN-101816649-A Preparation method of 2,3-indolediketone-3-oxime and application in prevention and control of cancer UNIV BEIJING 2010-09-01 CN disclosed
CN-101585785-A Preparation method of o-aminobenzonitrile compounds BEIJING YOURONGJIANYE TECHNOLO (CN) 2009-11-25 CN disclosed
CN-101585785-A Preparation method of o-aminobenzonitrile compounds BEIJING YOURONGJIANYE TECHNOLO (CN) 2009-11-25 CN disclosed
CN-1222512-A Improved amino acridine preparing process UNIV BEIJING SCIENCE & TECH (CN) 1999-07-14 CN disclosed
CN-1222512-A Improved amino acridine preparing process UNIV BEIJING SCIENCE & TECH (CN) 1999-07-14 CN disclosed