SCHEMBL10776144

SCHEMBL10776144

CCCCC(CCC)OP(=O)(O)CNC(=O)c1cc(Oc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.43
▸ SCN9A Q15858 17/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.40

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
SCHEMBL10776239 0.90 MEN1 (0.41) MAPTPOLB
SCHEMBL10778474 0.88 LMNA (0.43) —
SCHEMBL10781272 0.87 SCN9A (0.47) RAB9ASCN9AMAPTNPSR1POLB
SCHEMBL10776335 0.85 MEN1 (0.56) MAPTNPSR1POLB
SCHEMBL10776134 0.84 RAB9A (0.46) RAB9ASCN9AMAPTNPSR1POLB
SCHEMBL10781266 0.82 RAB9A (0.48) RAB9ASCN9AMAPTNPSR1SCN10A
SCHEMBL10616633 0.81 LMNA (0.43) SCN9ASCN10A
SCHEMBL10776308 0.76 MEN1 (0.43) MAPTPOLB
SCHEMBL10778811 0.74 LMNA (0.45) RAB9AMAPT
SCHEMBL11009701 0.74 RAB9A (0.68) RAB9ASCN9AMAPTNPSR1POLB

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-4685952-A Benzoylaminoalkylenephosphonic acids or esters thereof, herbicidal compositions containing same and their herbicidal use TEIJIN LIMITED (JP) 1987-08-11 — — US disclosed
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