SCHEMBL10776134

SCHEMBL10776134

CCCCOP(=O)(CNC(=O)c1cc(Oc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-])OCCCC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.46
▸ SCN9A Q15858 14/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SCN10A Q9Y5Y9 2/20 0.44
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 1/20 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
SCHEMBL10781266 0.93 RAB9A (0.48) RAB9ASCN9AMAPTNPSR1SCN10A
SCHEMBL10776233 0.89 KMT2A (0.44) MAPTPOLBLMNA
SCHEMBL10778468 0.86 LMNA (0.46) LMNA
SCHEMBL10776144 0.84 RAB9A (0.43) RAB9ASCN9AMAPTNPSR1SCN10A
SCHEMBL10776324 0.84 TDP1 (0.61) MAPTNPSR1POLBLMNA
SCHEMBL10781272 0.83 SCN9A (0.47) RAB9ASCN9AMAPTNPSR1SCN10A
SCHEMBL10776302 0.81 MEN1 (0.46) MAPTPOLBLMNA
SCHEMBL10778803 0.79 LMNA (0.48) RAB9AMAPTPOLBLMNA
SCHEMBL10907634 0.78 MAPT (0.49) RAB9ASCN9AMAPTNPSR1SCN10A
SCHEMBL11009701 0.77 RAB9A (0.68) RAB9ASCN9AMAPTNPSR1SCN10A

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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