SCHEMBL9395556

SCHEMBL9395556

O=[N+]([O-])c1cc(F)ccc1NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.64
LMNA P02545 5/20 0.60
ALDH1A1 P00352 5/20 0.60
MAPT P10636 5/20 0.60
WNK1 Q9H4A3 2/20 0.60
MAPK1 P28482 2/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL20334188 0.95 HCAR3 (0.66) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL931990 0.92 HCAR3 (0.64) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL11901731 0.88 MAPT (0.56) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL30936578 0.88 MAPT (0.56) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL31192527 0.85 HCAR3 (0.52) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL22716728 0.85 HCAR3 (0.52) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL11900769 0.84 MAPT (0.57) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL23786250 0.84 MAPT (0.69) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL8607686 0.84 MAPT (0.69) HCAR3LMNAALDH1A1MAPTWNK1
SCHEMBL20985278 0.82 HCAR3 (0.64) HCAR3LMNAALDH1A1MAPTWNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 EP disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 US disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 US disclosed
EP-0315959-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-17 EP disclosed