SCHEMBL28979784

SCHEMBL28979784

COc1ccc(-c2ccnc(-c3ccc(N(C)C)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.55
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
APP P05067 3/20 0.50
FLT3 P36888 1/20 0.48
MAPKAPK2 P49137 2/20 0.48
AURKA O14965 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TGFBR1 P36897 1/20 0.47
NPC1 O15118 4/20 0.47
SLC2A1 P11166 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
ROS1 P08922 1/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL27757723 0.83 MAPT (0.52) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8616869 0.83 KDM4E (0.55) DYRK1AMAPTKDM4EALDH1A1HPGD
SCHEMBL5710084 0.83 KDM4E (0.55) DYRK1AMAPTKDM4EALDH1A1HPGD
SCHEMBL11714214 0.80 APP (0.71) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27691140 0.79 DYRK1A (0.49) DYRK1AMAPTKDM4EALDH1A1HPGD
SCHEMBL28443184 0.75 MEN1 (0.59) DYRK1AMAPTKDM4EALDH1A1HPGD
SCHEMBL22142572 0.75 TGFBR1 (0.59) DYRK1AMAPTHSD17B10SMN1; SMN2TGFBR1
SCHEMBL55926 0.74 SLC2A1 (0.75) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14041619 0.74 APP (0.54) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL913245 0.74 CCR1 (0.57) DYRK1AMAPTKDM4EALDH1A1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115869867-B Microcapsule containing polyurethane/urea resin wall material of siloxane and preparation method thereof 湖南大学 2023-09-19 CN disclosed
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed
CN-115869867-A Microcapsule containing polyurethane/urea resin wall material of siloxane and preparation method thereof 湖南大学 2023-03-31 CN disclosed