SCHEMBL29015672

SCHEMBL29015672

COc1ccc(CNc2nnc(C)c3cc(-c4ccc(COC5NCCO5)c(Cl)c4)ccc23)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 19/20 0.42
CYP3A4 P08684 19/20 0.42
CYP2C19 P33261 18/20 0.42
CYP2D6 P10635 15/20 0.42
CYP2C9 P11712 13/20 0.42
ALDH1A1 P00352 12/20 0.42
HSD17B10 Q99714 11/20 0.42
TSHR P16473 11/20 0.42
USP2 O75604 11/20 0.42
CLK4 Q9HAZ1 10/20 0.42
MAPK1 P28482 8/20 0.42
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
ALOX15 P16050 5/20 0.42
LMNA P02545 9/20 0.40
HIF1A Q16665 5/20 0.40
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL30451923 1.00 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL29015354 0.93 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30451463 0.93 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL29015416 0.93 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30451585 0.93 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL29015440 0.88 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30451898 0.88 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL29015664 0.85 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24252785 0.85 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30467567 0.85 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9

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-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed