SCHEMBL30451683

SCHEMBL30451683

COc1ccc(CNc2nncc3cc(Br)ccc23)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.47
CYP3A4 P08684 15/20 0.47
CYP2C19 P33261 15/20 0.47
CYP2D6 P10635 14/20 0.47
TSHR P16473 12/20 0.47
HSD17B10 Q99714 11/20 0.47
LMNA P02545 8/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 11/20 0.47
ALDH1A1 P00352 8/20 0.47
CLK4 Q9HAZ1 7/20 0.47
USP2 O75604 6/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALOX15 P16050 4/20 0.47
APLNR P35414 1/20 0.47
MAPK1 P28482 3/20 0.47
HIF1A Q16665 4/20 0.46
BCDIN3D Q7Z5W3 1/20 0.46

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
SCHEMBL24252397 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30462822 0.84 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30452137 0.84 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL25260108 0.84 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL24252782 0.84 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL24252738 0.82 MAPT (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30452114 0.82 MAPT (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL24252331 0.81 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL24252810 0.81 KDM4C (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30451812 0.81 KDM4C (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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