Fluoride

Fluoride

SCHEMBL7978466

Cc1cc([N+](=O)[O-])ccc1NN.F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
CYP3A4 P08684 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 2/20 0.58
MAPT P10636 8/20 0.56
CRHBP P24387 4/20 0.56
CRHR2 Q13324 4/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54

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
SCHEMBL6550983 0.98 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT
Hydrochloric Acid SCHEMBL29117546 0.96 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL31284756 0.84 LMNA (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL11775750 0.84 LMNA (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL28968698 0.83 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1TSHRMAPT
Hydrochloric Acid SCHEMBL28061054 0.82 KAT2B (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL5177187 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL9682412 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL28120126 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL28205722 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed