SCHEMBL30451545

SCHEMBL30451545

COc1ccc(CNc2cnnc3cc(-c4cc(Cl)ccc4OCCC4CCCO4)ccc23)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.39
CYP3A4 P08684 11/20 0.39
CYP2C19 P33261 10/20 0.39
ALDH1A1 P00352 9/20 0.39
CYP2C9 P11712 8/20 0.39
TSHR P16473 8/20 0.39
LMNA P02545 7/20 0.39
CLK4 Q9HAZ1 7/20 0.39
HSD17B10 Q99714 7/20 0.39
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 9/20 0.37
USP2 O75604 6/20 0.37
MAPK1 P28482 5/20 0.37
HIF1A Q16665 5/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 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
SCHEMBL24252927 1.00 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL24252978 0.93 NPC1 (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL30451549 0.93 NPC1 (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL30451677 0.89 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL24252454 0.89 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL24252923 0.88 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL30452024 0.88 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL30451317 0.84 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL24252808 0.84 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL25248287 0.83 FLT1 (0.45) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9

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-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
EP-4185592-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF Annexon, Inc. (US) 2023-05-31 EP disclosed