SCHEMBL30452049

SCHEMBL30452049

COc1ccc(CNc2ncc(C)c3cc(-c4cc(Cl)ccc4OC)ccc23)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 19/20 0.55
CYP3A4 P08684 19/20 0.55
CYP2C19 P33261 17/20 0.55
ALDH1A1 P00352 15/20 0.55
TSHR P16473 13/20 0.55
CLK4 Q9HAZ1 13/20 0.55
CYP2C9 P11712 12/20 0.55
HSD17B10 Q99714 12/20 0.55
LMNA P02545 9/20 0.55
CYP2D6 P10635 16/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 7/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HIF1A Q16665 6/20 0.48
USP2 O75604 9/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALOX15 P16050 4/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL24252936 1.00 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL24252742 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL30451335 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL30451985 0.82 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL24252826 0.82 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL30451442 0.82 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL24252767 0.82 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL24252804 0.81 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL30452077 0.81 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL24252817 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR

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