SCHEMBL28058342

SCHEMBL28058342

COc1ccc(NCCC#N)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 1/20 0.48
C5AR1 P21730 1/20 0.48
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTT P42858 3/20 0.47
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL24162498 0.81 BCHE (0.64) ALDH1A1LMNAL3MBTL1HTR1AADRA1D
SCHEMBL6376682 0.81 C5AR1 (0.54) ALDH1A1GAALMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL28464909 0.80 C5AR1 (0.53) ALDH1A1GAALMNAL3MBTL1MAPT
SCHEMBL6413554 0.80 LMNA (0.51) ALDH1A1GAALMNAL3MBTL1MAPT
SCHEMBL6412979 0.78 CTSV (0.51) ALDH1A1LMNAL3MBTL1MAPTALOX12
SCHEMBL6408139 0.76 LMNA (0.45) ALDH1A1GAALMNAL3MBTL1MAPT
SCHEMBL6375544 0.76 CTSV (0.60) ALDH1A1GAALMNAL3MBTL1MAPT
SCHEMBL1464842 0.76 MAPK1 (0.55) ALDH1A1LMNAMAPTSMPD1HDAC1
SCHEMBL27472937 0.76 GAA (0.59) ALDH1A1GAAMAPTHTTKDM4E
Hydrochloric Acid SCHEMBL8747237 0.75 CTSV (0.58) ALDH1A1GAALMNAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104160455-B Nesa coating, conductive element, composition, input unit, display device and electronic instrument 迪睿合电子材料有限公司 2017-09-22 CN disclosed
CN-105473667-A Thiol group-containing colored compound, metal nanowire, dispersion, transparent conductive film, information input device, and electronic device DEXERIALS CORP 2016-04-06 CN disclosed