SCHEMBL20525754

SCHEMBL20525754

COc1ccc2c(Oc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)ccnc2c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NTSR1 P30989 1/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DRD4 P21917 3/20 0.43
POLB P06746 1/20 0.43
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL20525605 0.86 DRD2 (0.43) MAPTLMNAALDH1A1HTTSIGMAR1
SCHEMBL20525642 0.85 ACHE (0.42) ALKACHEKDM4EALDH1A1POLB
SCHEMBL371832 0.82 ACHE (0.60) MAPTACHEBACE1
SCHEMBL20525735 0.77 MET (0.39) CCNCCDK8MEN1KMT2A
SCHEMBL20525842 0.75 MET (0.37) MAPTTSHRALDH1A1POLBCCNC
SCHEMBL2876304 0.75 SIGMAR1 (0.72) MAPTLMNAMAPK1L3MBTL1TSHR
SCHEMBL11923385 0.73 SIGMAR1 (0.79) MAPTLMNAMAPK1L3MBTL1TSHR
SCHEMBL6160982 0.73 LMNA (0.70) MAPTLMNATSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11213408 0.72 SIGMAR1 (0.77) MAPTLMNAMAPK1L3MBTL1TSHR
SCHEMBL20525677 0.72 MET (0.46)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed