SCHEMBL28179433

SCHEMBL28179433

COc1cc(-c2cccn2Cc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REV1 Q9UBZ9 1/20 0.50
▸ MGAM O43451 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ SI P14410 3/20 0.45
▸ MGAM2 Q2M2H8 3/20 0.45
▸ MAPK14 Q16539 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41

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
SCHEMBL28178663 0.91 MGAM (0.47) REV1MGAMGAASIMGAM2
SCHEMBL28179450 0.89 TUBB4A (0.47) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL27992859 0.89 REV1 (0.53) REV1MGAMGAASIMGAM2
SCHEMBL28851823 0.84 CYP11B1 (0.51) REV1MAPK14NPC1TP53MEN1
SCHEMBL28815504 0.84 CYP11B1 (0.51) REV1MAPK14NPC1TP53MEN1
SCHEMBL28179447 0.84 REV1 (0.50) REV1NPC1MEN1KMT2AKDM4E
SCHEMBL28179429 0.83 MAOB (0.53) REV1MAPK14TP53MAOBBCHE
SCHEMBL28179445 0.81 MAPK14 (0.51) GAAMAPK14NPC1TP53MEN1
SCHEMBL28179455 0.79 MAOB (0.55) TP53MAOBFAAHMGLLBCHE
SCHEMBL27992857 0.79 L3MBTL1 (0.51) REV1MGAMGAASIMGAM2

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
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
CN-104370793-A Pyrrole ocean alkaloids Neolamellarin A analogue and preparation method and application thereof OCEAN UNIV CHINA 2015-02-25 — — CN disclosed
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