SCHEMBL29015643

SCHEMBL29015643

COc1ccc(CNc2nnc(C)c3cc(-c4cc(Cl)c(COC5CCCO5)cc4OC)ccc23)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 20/20 0.41
CYP3A4 P08684 20/20 0.41
CYP2C19 P33261 19/20 0.41
TSHR P16473 15/20 0.41
ALDH1A1 P00352 14/20 0.41
CYP2C9 P11712 12/20 0.41
CLK4 Q9HAZ1 11/20 0.41
LMNA P02545 10/20 0.41
HSD17B10 Q99714 10/20 0.41
CYP2D6 P10635 16/20 0.40
USP2 O75604 11/20 0.40
MAPK1 P28482 7/20 0.40
HIF1A Q16665 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALOX15 P16050 5/20 0.39
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL30467561 0.98 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30467560 0.98 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24252823 0.98 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL29015664 0.93 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24252333 0.91 NPC1 (0.41) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30467624 0.91 NPC1 (0.41) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24252785 0.90 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30467567 0.90 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL29015416 0.86 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30451585 0.86 CYP1A2 (0.40) 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