SCHEMBL14363771

SCHEMBL14363771

COc1ccc2[nH]c3c(c2c1)CCN1C3COC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.51
▸ MAPT P10636 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ SIRT1 Q96EB6 1/20 0.47
▸ ABCG2 Q9UNQ0 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ MAPKAPK5 Q8IW41 1/20 0.45
▸ DRD2 P14416 2/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ DRD5 P21918 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ ABCB1 P08183 3/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 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
SCHEMBL14363777 0.94 MAPT (0.51) MAPKAPK2MAPTTP53SIRT1ABCG2
SCHEMBL14363773 0.88 ABCG2 (0.52) MAPTTP53ABCG2ABCB1ADRA1A
SCHEMBL14363770 0.84 MAPT (0.54) MAPKAPK2MAPTTP53SIRT1ALDH1A1
SCHEMBL14364155 0.84 ADRA1D (0.50) MAPTABCG2DRD2DRD1DRD5
SCHEMBL14363774 0.81 MAPKAPK2 (0.50) MAPKAPK2MAPTTP53SIRT1ALDH1A1
SCHEMBL21648537 0.72 MAPKAPK2 (0.46) MAPKAPK2MAPTTP53SIRT1ABCG2
SCHEMBL21648505 0.72 MAPKAPK2 (0.46) MAPKAPK2MAPTTP53SIRT1ABCG2
SCHEMBL21648540 0.72 MAPKAPK2 (0.46) MAPKAPK2MAPTTP53SIRT1ABCG2
SCHEMBL14363920 0.72 MAPKAPK2 (0.54) MAPKAPK2MAPTTP53SIRT1ABCG2
SCHEMBL765058 0.72 HTR7 (0.72) MAPKAPK2MAPTALDH1A1HTR2BMAPKAPK5

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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