SCHEMBL28862829

SCHEMBL28862829

CCCCc1ccccc1N=Nc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
IDE P14735 1/20 0.46
TYR P14679 2/20 0.44
EGFR P00533 2/20 0.41
HSP90AA1 P07900 2/20 0.40
RAB9A P51151 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
PTPN1 P18031 2/20 0.39
PTGS2 P35354 2/20 0.39
ALOX5 P09917 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39

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
SCHEMBL28093073 0.94 LIPG (0.47) CYP3A4CYP2D6CYP2C9MEN1KMT2A
SCHEMBL11881831 0.87 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9MEN1KMT2A
SCHEMBL10798763 0.83 MAPT (0.48) CYP3A4CYP2D6CYP2C9MEN1KMT2A
SCHEMBL16100132 0.82 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9LIPGPTGS2
SCHEMBL28224513 0.81 LIPG (0.49) CYP3A4CYP2D6CYP2C9LIPGALDH1A1
SCHEMBL10431204 0.81 LIPG (0.49) CYP3A4CYP2D6CYP2C9LIPGALDH1A1
SCHEMBL28170227 0.81 LIPG (0.49) CYP3A4CYP2D6CYP2C9LIPGALDH1A1
Nitrogen SCHEMBL16700966 0.79 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9LIPGPTGS2
SCHEMBL21065715 0.78 LIPG (0.56) CYP3A4CYP2D6CYP2C9MEN1KMT2A
Acrylic Acid SCHEMBL28167480 0.77 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9IDE

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-115058217-A High-performance photoresponse intelligent adhesive and preparation method and application thereof 青岛科技大学 2022-09-16 CN claimed
CN-115058217-B High-performance light response intelligent adhesive and preparation method and application thereof 青岛科技大学 2023-08-22 CN disclosed
CN-115058217-A High-performance photoresponse intelligent adhesive and preparation method and application thereof 青岛科技大学 2022-09-16 CN disclosed