SCHEMBL19790225

SCHEMBL19790225

CCCn1nc(OC(F)F)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.62
CNR1 P21554 9/20 0.62
ACHE P22303 7/20 0.62
BCHE P06276 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16164366 0.89 CNR2 (0.57) CNR2CNR1ACHEBCHEL3MBTL1
SCHEMBL15081382 0.84 CNR2 (0.58) CNR2CNR1ACHEL3MBTL1MAPT
SCHEMBL22151047 0.79 CNR2 (0.58) CNR2CNR1ACHEL3MBTL1MAPT
SCHEMBL15081319 0.79 ELANE (0.53) CNR2CNR1ACHEMAPTMEN1
SCHEMBL3648470 0.78 CNR2 (0.57) CNR2CNR1ACHEL3MBTL1MAPT
SCHEMBL22392857 0.77 CNR2 (1.00) CNR2CNR1ACHEBCHE
SCHEMBL15081218 0.76 CNR2 (0.53) CNR2CNR1ACHEBCHEL3MBTL1
SCHEMBL27978243 0.76 ELANE (0.47) CNR2CNR1ACHEL3MBTL1MEN1
SCHEMBL16165085 0.75 CNR2 (0.60) CNR2CNR1ACHEBCHEL3MBTL1
SCHEMBL15081324 0.75 CNR2 (0.63) CNR2CNR1ACHEBCHEL3MBTL1

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
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed