SCHEMBL14363777

SCHEMBL14363777

COc1ccc(C2OCC3c4[nH]c5ccc(OC)cc5c4CCN32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ TP53 P04637 4/20 0.51
▸ MAPKAPK2 P49137 5/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ KCNH2 Q12809 3/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ USP2 O75604 1/20 0.42

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
SCHEMBL14363771 0.94 MAPKAPK2 (0.51) MAPTTP53MAPKAPK2ALDH1A1HTR2B
SCHEMBL14363773 0.89 ABCG2 (0.52) MAPTTP53ABCG2ADRA1A
SCHEMBL14363770 0.86 MAPT (0.54) MAPTTP53MAPKAPK2ALDH1A1HTR2B
SCHEMBL14363774 0.83 MAPKAPK2 (0.50) MAPTTP53MAPKAPK2ALDH1A1HTR2B
SCHEMBL14364155 0.76 ADRA1D (0.50) MAPTABCG2SIGMAR1SMN1; SMN2CYP1A2
SCHEMBL21648537 0.74 MAPKAPK2 (0.46) MAPTTP53MAPKAPK2ALDH1A1HTR2B
SCHEMBL21648505 0.74 MAPKAPK2 (0.46) MAPTTP53MAPKAPK2ALDH1A1HTR2B
SCHEMBL21648540 0.74 MAPKAPK2 (0.46) MAPTTP53MAPKAPK2ALDH1A1HTR2B
SCHEMBL14363920 0.74 MAPKAPK2 (0.54) MAPTTP53MAPKAPK2ALDH1A1HTR2B
SCHEMBL30363189 0.73 MAPKAPK2 (0.56) MAPTTP53MAPKAPK2ALDH1A1HTR2B

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
WO-2007147819-A1 3H,11H-OXAZOLO[3',4':1,2]PYRIDO[3,4-B]INDOLE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2007-12-27 — — WO disclosed
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