SCHEMBL30451376

SCHEMBL30451376

COc1ccc(CNc2nnc(C(C)C)c3cc(-c4cccc(Cl)c4)ccc23)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 20/20 0.53
CYP3A4 P08684 20/20 0.53
CYP2C19 P33261 19/20 0.53
CYP2D6 P10635 18/20 0.53
CYP2C9 P11712 15/20 0.53
CLK4 Q9HAZ1 13/20 0.53
HSD17B10 Q99714 13/20 0.53
ALDH1A1 P00352 13/20 0.53
TSHR P16473 13/20 0.53
LMNA P02545 13/20 0.47
USP2 O75604 10/20 0.47
MAPK1 P28482 6/20 0.47
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
ALOX15 P16050 5/20 0.46
HIF1A Q16665 5/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL24252753 1.00 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24252774 0.88 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30467758 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30451398 0.84 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24252828 0.84 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30467808 0.83 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL29015421 0.83 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24252309 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL24252778 0.81 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL30451795 0.81 CYP1A2 (0.45) 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 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