SCHEMBL7545514

SCHEMBL7545514

CCCCCCCCCCCCCCCCCc1nc2ccccc2n1Cc1ccccc1.[Na].[Na]

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.76
AGTR2 P50052 4/20 0.76
PPARG P37231 6/20 0.67
LMNA P02545 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
MAPT P10636 1/20 0.60
ALDH1A1 P00352 1/20 0.60

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
SCHEMBL4952279 0.99 AGTR1 (0.78) AGTR1AGTR2PPARGLMNAMEN1
SCHEMBL9764119 0.97 AGTR1 (0.76) AGTR1AGTR2PPARGLMNAMEN1
SCHEMBL7545509 0.97 AGTR1 (0.76) AGTR1AGTR2PPARGLMNAMEN1
SCHEMBL28487275 0.97 AGTR1 (0.76) AGTR1AGTR2PPARGLMNAMEN1
SCHEMBL29411886 0.97 AGTR1 (0.76) AGTR1AGTR2PPARGLMNAMEN1
SCHEMBL13261296 0.90 AGTR1 (0.73) AGTR1AGTR2PPARGLMNAPDE4D
SCHEMBL13508734 0.88 AGTR1 (0.71) AGTR1AGTR2PPARGLMNAPDE4D
SCHEMBL9197881 0.87 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL28481747 0.86 LMNA (0.81) AGTR1AGTR2LMNAMEN1KMT2A
SCHEMBL29411883 0.86 LMNA (0.81) AGTR1AGTR2LMNAMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837856-B1 PESTICIDAL TRIS-OXIMINO HETEROCYCLIC COMPOUNDS BAYER AG (DE) 2002-06-19 EP disclosed
US-6342633-B1 SULFIDING A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2002-01-29 US disclosed
US-6211240-B1 INSECTICIDES NOVARTIS CORPORATION 2001-04-03 US disclosed
EP-0792261-B1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1999-12-22 EP disclosed
US-5977182-A O-benzyl oxime ether derivatives and their use as pesticides NOVARTIS FINANCE CORPORATION (US) 1999-11-02 US disclosed