SCHEMBL10909178

SCHEMBL10909178

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1NCCCP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.46
SCN9A Q15858 15/20 0.44
SCN10A Q9Y5Y9 3/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL10909666 0.94 MAPT (0.51) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL10907946 0.89 MAPT (0.53) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL10908386 0.84 MAPT (0.48) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL18638314 0.83 SCN9A (0.55) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL10872175 0.83 MAPT (0.53) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL11134020 0.83 MAPT (0.57) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL10909663 0.81 MAPT (0.53) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL18638623 0.81 SCN9A (0.54) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL10909174 0.81 MAPT (0.48) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL18638453 0.80 MAPT (0.52) MAPTNPSR1RAB9APOLBSCN9A

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-4618358-A CONTROLLING WEEDS IN RICE CIBA-GEIGY CORPORATION (US) 1986-10-21 US disclosed