SCHEMBL11068307

SCHEMBL11068307

O=C(O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 7/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 11/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RORC P51449 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 3/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL11880121 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL16922173 0.85 MAPT (0.53) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL5550221 0.82 HTT (0.62) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL11321526 0.81 MMP1 (0.50) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL11321533 0.81 MMP1 (0.50) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL11144045 0.79 MAPT (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL11144053 0.79 MAPT (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL11462228 0.78 MAPT (0.49) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL11473776 0.78 MAPT (0.49) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL6816296 0.77 MAPT (0.60) SMN1; SMN2ALDH1A1LMNAHTTMAPT

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-0008421-B1 BENZODIAZEPINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-08 EP disclosed