SCHEMBL9646352

SCHEMBL9646352

CC(C)(C)OC(=O)n1c2ccccc2c(=O)n1Cc1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ACHE P22303 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABHD6 Q9BV23 1/20 0.35
▸ NR1H3 Q13133 2/20 0.35

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
SCHEMBL9647155 0.83 KMT2A (0.53) PDE4APDE4BPDE4CPDE4DPLA2G2A
SCHEMBL9646337 0.83 PARP1 (0.44) MEN1LMNAMAPTKMT2APARP1
SCHEMBL31667524 0.80 P2RX4 (0.49) CHRM1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL31667699 0.74 POLB (0.48) MEN1ALDH1A1KMT2A
SCHEMBL9670940 0.70 L3MBTL1 (0.65) ACHEKDM4EMEN1ALDH1A1KMT2A
SCHEMBL266762 0.70 GLS (0.51) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL4468997 0.70 NR1H2 (0.44) NR1H2L3MBTL1DTYMK
SCHEMBL9647043 0.70 GAA (0.44) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL9647061 0.68 L3MBTL1 (0.44) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL16137851 0.68 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3

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
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 — — US disclosed
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