SCHEMBL6607834

SCHEMBL6607834

O=C(O)Nc1cc(Cl)c(-c2ccccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CXCR2 P25025 1/20 0.44
MAPK1 P28482 1/20 0.44
RORC P51449 1/20 0.44
APP P05067 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.40
KCNMA1 Q12791 2/20 0.39
VCAM1 P19320 1/20 0.39

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
SCHEMBL5557485 0.83 RAB9A (0.42) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6881721 0.82 KMT2A (0.42) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL1067339 0.81 CXCR2 (0.43) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL1067337 0.81 CXCR2 (0.43) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL27615856 0.78 APP (0.42) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6609242 0.78 MEN1 (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6608004 0.78 KMT2A (0.39) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5606205 0.74 MAPT (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7707281 0.73 SMN1; SMN2 (0.45) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6607277 0.73 MAPT (0.39) MAPTALDH1A1MEN1KMT2ARAB9A

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
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed