SCHEMBL29554388

SCHEMBL29554388

c1ccc2c(c1)oc1c(N3CCN(C(c4ccc5ocnc5c4)c4ccc5ocnc5c4)CC3)ncnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
TSHR P16473 7/20 0.58
HSD17B10 Q99714 7/20 0.58
HTT P42858 5/20 0.58
HPGD P15428 4/20 0.58
MAPK1 P28482 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
TP53 P04637 2/20 0.58
HRH4 Q9H3N8 2/20 0.58
HCRTR1 O43613 1/20 0.58
LMNA P02545 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HRH1 P35367 1/20 0.53
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
USP2 O75604 1/20 0.48
KIT P10721 2/20 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
SCHEMBL606545 0.74 HRH4 (1.00) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL615146 0.72 MAPT (0.72) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL3876311 0.71 MAPT (0.73) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL13771254 0.70 MAPT (0.68) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL3876308 0.70 MAPT (0.70) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL12256009 0.65 LMNA (1.00) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL15384142 0.65 KIT (0.72) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL16406269 0.64 SMN1; SMN2 (0.67) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL16905930 0.64 HSD17B10 (0.59) MAPTTSHRHSD17B10HTTHPGD
SCHEMBL18496060 0.64 HRH4 (0.58) MAPTTSHRHSD17B10HTTHPGD

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
WO-2022062357-A1 MEDICINE FOR TREATING OR PREVENTING DISEASES RELATED TO ACTIVITY OF LRRK2 KINASE OR ABNORMAL LRRK2 MUTANT KINASE 广州智睿医药科技有限公司 2022-03-31 WO claimed
WO-2022062357-A1 MEDICINE FOR TREATING OR PREVENTING DISEASES RELATED TO ACTIVITY OF LRRK2 KINASE OR ABNORMAL LRRK2 MUTANT KINASE 广州智睿医药科技有限公司 2022-03-31 WO disclosed