SCHEMBL24604164

SCHEMBL24604164

CN1COc2c(ccc3cc(CN4COc5ccccc5C4)ccc23)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CHKA P35790 1/20 0.38
MAPT P10636 8/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL21160841 0.75 CYP1A2 (0.71) CYP1A2MAPTKDM4ECYP3A4CYP2D6
SCHEMBL21865868 0.74 CYP1A2 (0.55) CYP1A2MAPTCYP3A4CYP2D6HIF1A
SCHEMBL12451410 0.73 CYP1A2 (0.51) CYP1A2MAPTKDM4ECYP3A4CYP2D6
SCHEMBL15827402 0.72 KDM4E (0.58) CYP1A2MAPTKDM4ETDP1
SCHEMBL94770 0.71 MAPT (0.50) MAPTKDM4ECYP2D6OPRM1OPRK1
SCHEMBL10311141 0.71 KDM4E (0.43) CYP1A2MAPTKDM4ETDP1
SCHEMBL18134602 0.71 CYP1A2 (1.00) CYP1A2MAPTKDM4ECYP3A4CYP2D6
SCHEMBL28677044 0.70 CYP1A2 (0.62) CYP1A2MAPTCYP3A4CYP2D6HIF1A
SCHEMBL15892647 0.70 KDM4E (0.39) CYP1A2MAPTKDM4ECYP3A4
SCHEMBL10311142 0.69 CYP1A2 (0.49) CYP1A2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213267-A1 EXTREME HIGH TEMPERATURE STABLE ADHESIVES AND COATINGS DESIGNER MOLECULES, INC 2022-07-07 US disclosed