SCHEMBL29015490

SCHEMBL29015490

COc1ccc(CNc2cnnc3cc(-c4cc(Cl)ccc4OOC4CCCC4)ccc23)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.41
CYP3A4 P08684 12/20 0.41
CYP2C19 P33261 11/20 0.41
TSHR P16473 10/20 0.41
ALDH1A1 P00352 9/20 0.41
CYP2C9 P11712 8/20 0.41
HSD17B10 Q99714 8/20 0.41
LMNA P02545 7/20 0.41
CLK4 Q9HAZ1 7/20 0.41
CYP2D6 P10635 10/20 0.38
MAPK1 P28482 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PDE9A O76083 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HIF1A Q16665 4/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 5/20 0.37
KDM4C Q9H3R0 2/20 0.37

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
SCHEMBL30452410 0.91 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24252929 0.91 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30451317 0.89 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24252808 0.89 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30467633 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24252915 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30467726 0.85 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24252454 0.85 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30451677 0.85 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL29015506 0.84 PDE4A (0.39) CYP1A2CYP3A4CYP2C19TSHRALDH1A1

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