SCHEMBL28178688

SCHEMBL28178688

COc1ccc(-c2cccn2Cc2ccccc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.50
▸ PDE4B Q07343 7/20 0.50
▸ PDE4C Q08493 7/20 0.50
▸ PDE4D Q08499 7/20 0.50
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ FYN P06241 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CFTR P13569 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
SCHEMBL27992859 0.89 REV1 (0.53) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL28179450 0.86 TUBB4A (0.47) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL28179447 0.81 REV1 (0.50) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL28179465 0.81 CYP11B1 (0.56) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL28178546 0.80 SIGMAR1 (0.55) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL28179434 0.78 TP53 (0.49) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL28179433 0.76 REV1 (0.50) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL28110914 0.76 CYP11B1 (0.55) ALDH1A1KDM4ELMNAMAPTL3MBTL1
SCHEMBL5444593 0.75 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3613434 0.75 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B

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
CN-104370793-B Pyroles marine alkaloids Neolamellarin A analogs and its preparation method and application 中国海洋大学 2017-10-17 — — CN disclosed
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