SCHEMBL2133003

SCHEMBL2133003

COC(=O)Cc1cc(N)cc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.62
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
SLC7A5 Q01650 1/20 0.45
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14420071 0.89 HSP90AB1 (0.55) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL4213163 0.87 HSP90AB1 (0.53) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL21891794 0.84 HSP90AB1 (0.75) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL5749601 0.83 HSP90AB1 (0.49) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL907660 0.81 SLC7A5 (0.59) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL31478027 0.81 SLC7A5 (0.59) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL1873590 0.81 HSP90AB1 (0.64) HSP90AB1ALDH1A1GAAGFERCYP4F2
Hydrochloric Acid SCHEMBL11362514 0.81 ALDH1A1 (0.47) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL25281597 0.80 HSP90AB1 (0.58) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL2131830 0.80 SMN1; SMN2 (0.46) HSP90AB1ALDH1A1GAACYP4F2CYP4A11

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-115318113-A Nanofiltration membrane and preparation method and application thereof 清华大学 2022-11-11 CN claimed
CN-115318113-A Nanofiltration membrane and preparation method and application thereof 清华大学 2022-11-11 CN disclosed
CN-104178181-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2017-04-12 CN disclosed
CN-104178181-A LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORP 2014-12-03 CN disclosed
US-20140350179-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2014-11-27 US disclosed
US-8673177-B2 Liquid crystal alignment agent, and liquid crystal alignment film and liquid crystal display element formed from the liquid crystal alignment agent CHI MEI CORPORATION (TW) 2014-03-18 US disclosed
CN-102453486-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2012-05-16 CN disclosed
US-20120101224-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2012-04-26 US disclosed