SCHEMBL28029638

SCHEMBL28029638

COc1cccc(-c2ccnc(-c3cccc(OC)c3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 12/20 0.72
DYRK1A Q13627 6/20 0.72
CYP1A2 P05177 10/20 0.68
CYP3A4 P08684 9/20 0.68
CYP2D6 P10635 9/20 0.68
CYP2C19 P33261 9/20 0.68
CYP2C9 P11712 3/20 0.68
CYP1A1 P04798 1/20 0.68
CYP2E1 P05181 1/20 0.68
CYP2C8 P10632 1/20 0.68
CYP2A6 P11509 1/20 0.68
CYP4B1 P13584 1/20 0.68
CYP2B6 P20813 1/20 0.68
CYP3A5 P20815 1/20 0.68
CYP2A7 P20853 1/20 0.68
CYP3A7 P24462 1/20 0.68
CYP2F1 P24903 1/20 0.68
CYP2C18 P33260 1/20 0.68
CYP2J2 P51589 1/20 0.68
CYP4F2 P78329 1/20 0.68

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
SCHEMBL7449133 0.91 NPC1 (0.68) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL2408003 0.85 DYRK1A (0.56) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL31230014 0.85 CLK4 (0.70) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL25269044 0.85 CLK4 (0.70) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL2666349 0.85 CLK4 (0.70) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL4894241 0.85 CLK4 (0.56) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL12302829 0.84 CLK4 (1.00) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL14638214 0.84 DYRK1A (0.60) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL25260413 0.84 CLK4 (0.68) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL25220297 0.84 CLK4 (0.68) CLK4DYRK1ACYP1A2CYP3A4CYP2D6

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
CN-103145624-B Molecular glass positive photoresist and patterning method thereof TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 CN disclosed