SCHEMBL8773960

SCHEMBL8773960

Cc1c(F)c(F)cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
ATM Q13315 2/20 0.49
MGLL Q99685 2/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
MAPT P10636 7/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MYOC Q99972 1/20 0.40

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
SCHEMBL328491 0.80 GAA (0.56) GAAATMMGLLBCL9CTNNB1
SCHEMBL31158937 0.78 MEN1 (0.55) GAAATMMGLLBCL9CTNNB1
SCHEMBL30475423 0.77 GAA (0.58) GAAATMMGLLBCL9CTNNB1
SCHEMBL30475420 0.77 GAA (0.58) GAAATMMGLLBCL9CTNNB1
SCHEMBL8735631 0.77 GAA (0.53) GAAATMMGLLBCL9CTNNB1
SCHEMBL31158631 0.75 GAA (0.50) GAAATMMGLLBCL9CTNNB1
SCHEMBL31158610 0.75 GAA (0.53) GAAATMMGLLBCL9CTNNB1
SCHEMBL31520730 0.74 GAA (0.50) GAAATMMGLLBCL9CTNNB1
SCHEMBL25854658 0.74 GAA (0.55) GAAATMMGLLBCL9CTNNB1
SCHEMBL13362925 0.74 ALDH1A1 (0.59) GAAATMMGLLBCL9CTNNB1

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-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed