Fluoride

Fluoride

SCHEMBL28166192

COc1ccc(NC(C)=O)cc1.F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 2/20 0.66
HTT P42858 2/20 0.66
ALDH1A1 P00352 1/20 0.66
HSD17B10 Q99714 1/20 0.66
MTNR1A P48039 2/20 0.65
MTNR1B P49286 2/20 0.65
IDO1 P14902 1/20 0.64
TP53 P04637 1/20 0.63
ALOX15 P16050 1/20 0.63
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
TGM2 P21980 1/20 0.59
POLB P06746 1/20 0.58

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
SCHEMBL27267778 0.98 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL171415 0.98 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27627516 0.96 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14384396 0.92 MTNR1A (0.76) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9571811 0.92 MTNR1A (0.71) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3468387 0.89 MAPT (0.68) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6814406 0.89 CYP1A2 (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11481934 0.89 IDO1 (0.66) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18409069 0.87 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10926166 0.87 NPC1 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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
CN-107032965-A A kind of preparation method of 3 trifluoro-methoxy-phenol 金凯(辽宁)化工有限公司 2017-08-11 CN claimed