SCHEMBL29161591

SCHEMBL29161591

O=c1ccc(OCCCCBr)cn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.47
▸ BRD4 O60885 2/20 0.46
▸ BRD2 P25440 1/20 0.46
▸ BRD3 Q15059 1/20 0.46
▸ BRDT Q58F21 1/20 0.46
▸ MAPK14 Q16539 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ PLA2G2A P14555 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAOA P21397 1/20 0.38

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
SCHEMBL31599546 0.81 MAPK14 (0.61) HRH3BRD4BRD2BRD3BRDT
SCHEMBL5440765 0.78 L3MBTL1 (0.52) HRH3L3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL24820991 0.77 BRD4 (0.48) HRH3BRD4BRD2BRD3BRDT
SCHEMBL18951821 0.76 SIGMAR1 (0.54) BRD4BRD2BRD3BRDTL3MBTL1
SCHEMBL5431537 0.74 HRH3 (0.63) HRH3BRD4BRD2BRD3BRDT
SCHEMBL5442729 0.71 L3MBTL1 (0.47) HRH3L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL16466424 0.71 BRD4 (0.53) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL1172641 0.71 MGLL (0.59) L3MBTL1RAB9AMAPTGAASMN1; SMN2
SCHEMBL5437583 0.69 L3MBTL1 (0.45) HRH3L3MBTL1ALDH1A1MAPTGAA
SCHEMBL23168957 0.69 MEN1 (0.44) HRH3BRD4BRD2BRD3BRDT

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-117624160-A Preparation method of cyclic substituted 2-pyridone compound 安徽中医药大学 2024-03-01 — — CN disclosed
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