SCHEMBL27614564

SCHEMBL27614564

c1cc(-c2cc[nH]n2)c2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.46
▸ REN P00797 2/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ BCHE P06276 3/20 0.37
▸ NR3C1 P04150 5/20 0.37
▸ PGR P06401 2/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ AR P10275 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BACE1 P56817 2/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ AXL P30530 1/20 0.33
▸ NUDT1 P36639 1/20 0.33

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
SCHEMBL31492457 0.80 AHR (0.60) AHRRENKEAP1PDPK1BCHE
SCHEMBL30589021 0.76 NISCH (0.42) BCHE
SCHEMBL674356 0.76 NISCH (0.42) BCHE
SCHEMBL27596511 0.76 NISCH (0.42) BCHE
SCHEMBL28421923 0.76 ALDH1A1 (0.33) —
SCHEMBL15497975 0.74 AR (0.46) AHRRENKEAP1PDPK1BCHE
SCHEMBL3391917 0.74 MEN1 (0.31) —
SCHEMBL15712028 0.73 PRKCI (0.50) AHRRENKEAP1AXLNUDT1
SCHEMBL31688976 0.72 AXL (0.47) AHRRENKEAP1PDPK1NR3C1
SCHEMBL30741488 0.71 AHR (0.43) AHRRENKEAP1PDPK1NR3C1

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-1606407-A Herbicidal mixture based on 7-pyrazolybenzoxazoles BASF AG (DE) 2005-04-13 — — CN claimed
CN-1606407-A Herbicidal mixture based on 7-pyrazolybenzoxazoles BASF AG (DE) 2005-04-13 — — CN disclosed
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