SCHEMBL30646027

SCHEMBL30646027

COc1nnc2cc(O)ccc2c1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HTT P42858 1/20 0.40
▸ PDGFRA P16234 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ GUSB P08236 1/20 0.39
▸ CLK1 P49759 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ RAB9A P51151 4/20 0.37

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
SCHEMBL29111047 1.00 MEN1 (0.44) MEN1KMT2ARXFP1HTTPDGFRA
SCHEMBL28427729 0.74 PDGFRA (0.44) MEN1KMT2AHTTPDGFRAKDR
SCHEMBL28426760 0.73 SIGMAR1 (0.43) MEN1KMT2ARXFP1HTTMAPT
SCHEMBL12004509 0.71 PDGFRA (0.57) MEN1KMT2AHTTPDGFRAKDR
SCHEMBL13915774 0.71 HSPB1 (0.51) MEN1KMT2AHTTPDGFRAKDR
Methoxymethane SCHEMBL9362269 0.70 HSPB1 (0.59) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL27862972 0.70 KMT2A (0.50) MEN1KMT2ARXFP1HTTMAPT
SCHEMBL23917581 0.70 HSPB1 (0.50) MEN1KMT2AHTTMAPTALDH1A1
P-Nitrophenol SCHEMBL28149477 0.69 APP (0.60) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL114616 0.69 HSPB1 (0.66) MEN1KMT2AHTTMAPTALDH1A1

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-111253385-B Heterocyclic compound, preparation method and application 遵义医科大学珠海校区 2023-11-24 — — CN disclosed
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