Fluoride

Fluoride

SCHEMBL28259583

F.N#Cc1ccc([N+](=O)[O-])cc1C#N

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.68
ALDH1A1 P00352 7/20 0.58
LMNA P02545 6/20 0.58
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
XDH P47989 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RECQL P46063 1/20 0.48
BCL6 P41182 1/20 0.46
BCOR Q6W2J9 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPRC P08575 1/20 0.42
S100A4 P26447 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
SCHEMBL73860 0.98 VCAM1 (0.70) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL16962355 0.87 VCAM1 (0.62) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL15461632 0.87 VCAM1 (0.62) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6865120 0.84 ALDH1A1 (0.60) VCAM1ALDH1A1LMNAGAASMN1; SMN2
Fluoride SCHEMBL28618487 0.83 VCAM1 (0.57) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL29208562 0.83 VCAM1 (0.53) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL82629 0.82 VCAM1 (0.66) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL698847 0.82 VCAM1 (0.66) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL689735 0.82 VCAM1 (0.66) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL1773366 0.82 ALDH1A1 (0.54) VCAM1ALDH1A1LMNAGAASMN1; SMN2

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
CN-110461814-A Resin blend, prepreg and product containing phthalonitrile reactive diluent and bi-phthalonitrile resin 3M INNOVATIVE PROPERTIES CO 2019-11-15 CN disclosed
CN-108884023-A Bisphenol M bisphthalonitrile ether resin, bisphenol P bisphthalonitrile ether resin, preparation methods thereof, resin blend and two-component system 3M创新有限公司 2018-11-23 CN disclosed