SCHEMBL29124158

SCHEMBL29124158

O=C(Nc1c2ccccc2cc2ccccc12)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
KCNJ11 Q14654 4/20 0.57
ADORA3 P0DMS8 3/20 0.56
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
KDR P35968 1/20 0.47

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
SCHEMBL29124104 0.81 ADORA3 (0.53) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL777068 0.81 NPC1 (0.68) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL777051 0.80 NPC1 (0.54) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL11768284 0.79 APEX1 (0.48) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL11135580 0.78 CYP1A2 (0.51) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL8101954 0.77 CYP2D6 (0.47) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL8899556 0.77 ABCC9 (0.55) CYP1A2CYP2C19CYP2C9KCNJ11KMT2A
SCHEMBL11626858 0.76 MEN1 (0.58) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL11900787 0.76 NPC1 (0.66) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL28569478 0.76 NPC1 (0.60) CYP1A2CYP2C19NPC1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229483-A Amide potassium complex for catalyzing lactide ring-opening polymerization and preparation method thereof 北京服装学院 2023-12-15 CN claimed
CN-117229483-A Amide potassium complex for catalyzing lactide ring-opening polymerization and preparation method thereof 北京服装学院 2023-12-15 CN disclosed