SCHEMBL1708812

SCHEMBL1708812

CNCc1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 2/20 0.38
SLC6A4 P31645 6/20 0.37
SLC6A2 P23975 4/20 0.37
PRKCI P41743 1/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 4/20 0.34
POLB P06746 3/20 0.34
SLC6A3 Q01959 2/20 0.34
HTR2A P28223 2/20 0.33
KCNH2 Q12809 2/20 0.33
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 2/20 0.32
USP2 O75604 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL6336485 0.83 GAA (0.44) MAPTGAAHTTTSHRMAPK1
SCHEMBL10061480 0.81 TDP1 (0.48) TSHRSLC6A4SLC6A2ALDH1A1CYP3A4
SCHEMBL10061642 0.81 ALDH1A1 (0.48) MAPTGAAHTTTSHRMAPK1
Hydrochloric Acid SCHEMBL6346253 0.81 MAPT (0.42) MAPTGAAHTTTSHRMAPK1
SCHEMBL5108078 0.79 SLC6A4 (0.53) TSHRSLC6A4SLC6A2ALDH1A1CYP3A4
SCHEMBL27647093 0.79 SLC6A4 (0.45) MAPTGAAHTTMAPK1CASP1
SCHEMBL10061641 0.79 NOS1 (0.44) MAPTGAAHTTTSHRMAPK1
SCHEMBL21417797 0.79 PRKCI (0.56) MAPTGAAHTTTSHRMAPK1
SCHEMBL16737936 0.79 MAPT (0.37) MAPTGAAHTTTSHRMAPK1
SCHEMBL6270844 0.79 SLC6A4 (0.42) MAPTGAAHTTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
US-20150062519-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY INC (JP) 2015-03-05 US disclosed
US-8906474-B2 Alignment film, composition for forming alignment film and liquid crystal display device JAPAN DISPLAY INC. (JP) 2014-12-09 US disclosed
US-20120088040-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE MAGNOLIA WHITE CORPORATION (JP) 2012-04-12 US disclosed
US-20120088040-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE MAGNOLIA WHITE CORPORATION (JP) 2012-04-12 US disclosed