SCHEMBL10909663

SCHEMBL10909663

CC(Nc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-])P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.45
SCN9A Q15858 12/20 0.45
LIPE Q05469 2/20 0.43
THRB P10828 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
FPR2 P25090 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
SCHEMBL10909174 0.88 MAPT (0.48) MAPTNPSR1RAB9APOLBLMNA
SCHEMBL10908383 0.87 MAPT (0.48) MAPTNPSR1RAB9APOLBSCN9A
SCHEMBL18638559 0.86 MAPT (0.52) MAPTNPSR1RAB9APOLBLMNA
SCHEMBL24117017 0.86 MAPT (0.52) MAPTNPSR1RAB9APOLBLMNA
SCHEMBL28356316 0.86 MAPT (0.52) MAPTNPSR1RAB9APOLBLMNA
SCHEMBL10907946 0.85 MAPT (0.53) MAPTNPSR1RAB9APOLBLMNA
SCHEMBL10909666 0.83 MAPT (0.51) MAPTNPSR1RAB9APOLBLMNA
SCHEMBL10909178 0.81 MAPT (0.49) MAPTNPSR1RAB9APOLBLMNA
SCHEMBL10880994 0.81 MEN1 (0.59) MAPTNPSR1POLBLMNA
SCHEMBL10872175 0.81 MAPT (0.53) MAPTNPSR1RAB9APOLBLMNA

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