SCHEMBL5573253

SCHEMBL5573253

C=C1N(CCC)c2ccccc2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 4/20 0.37
POLB P06746 3/20 0.37
CBX7 O95931 2/20 0.37
CDYL Q9Y232 2/20 0.37
CDY1; CDY1B Q9Y6F8 2/20 0.37
ADRA2A P08913 1/20 0.36

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
SCHEMBL6093583 0.90 KMT2A (0.53) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL10448669 0.89 KMT2A (0.51) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL19746373 0.87 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL9736812 0.87 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL14134758 0.87 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL8708894 0.87 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL9868831 0.87 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL8475420 0.87 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL8555578 0.87 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL30996203 0.86 CYP1A2 (0.55) KMT2ACYP1A2CYP2D6MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8277749-B2 Time-temperature indicator based on valence isomerizations FRESHPOINT HOLDINGS S.A. (CH) 2012-10-02 US disclosed
US-8277749-B2 Time-temperature indicator based on valence isomerizations FRESHPOINT HOLDINGS S.A. (CH) 2012-10-02 US disclosed
US-20070172951-A1 Time-temperature indicator based on valence isomerizations FRESHPOINT QUALITY ASSURANCE LTD. (IL) 2007-07-26 US disclosed
US-20070172951-A1 Time-temperature indicator based on valence isomerizations FRESHPOINT QUALITY ASSURANCE LTD. (IL) 2007-07-26 US disclosed
EP-1711809-A2 TIME-TEMPERATURE INDICATOR BASED ON VALENCE ISOMERIZATIONS FRESHPOINT HOLDINGS SA (CH) 2006-10-18 EP disclosed
WO-2005075978-A2 TIME-TEMPERATURE INDICATOR BASED ON VALENCE ISOMERIZATIONS FRESHPOINT HOLDINGS SA (CH) 2005-08-18 WO disclosed