SCHEMBL10854655

SCHEMBL10854655

CCP(=O)(OC)c1cc(Oc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RAB9A P51151 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ SCN9A Q15858 11/20 0.42
▸ SCN10A Q9Y5Y9 2/20 0.42

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
SCHEMBL10863160 0.88 MAPT (0.57) MAPTNPSR1RAB9APOLBMAPK1
SCHEMBL10952560 0.87 MAPT (0.54) MAPTNPSR1RAB9APOLBMAPK1
SCHEMBL10851709 0.87 LMNA (0.40) MAPTNPSR1POLBMAPK1LMNA
SCHEMBL10850666 0.85 MAPT (0.54) MAPTNPSR1RAB9APOLBMAPK1
SCHEMBL10855519 0.85 PPARG (0.37) MAPTNPSR1POLBMAPK1LMNA
SCHEMBL10854172 0.84 LMNA (0.48) MAPTNPSR1RAB9APOLBLMNA
SCHEMBL10846035 0.83 MAPT (0.59) MAPTNPSR1RAB9APOLBMAPK1
SCHEMBL10846384 0.82 MAPT (0.57) MAPTNPSR1RAB9APOLBMAPK1
SCHEMBL10856761 0.81 MEN1 (0.45) MAPTNPSR1POLBMAPK1LMNA
SCHEMBL10857434 0.80 MEN1 (0.58) MAPTNPSR1POLBMAPK1LMNA

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
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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