SCHEMBL6233351

SCHEMBL6233351

O=[N+]([O-])c1ccc2[nH]c(Cc3cccc(F)c3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.61
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KCNJ1 P48048 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PKM P14618 2/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.42
IDO1 P14902 1/20 0.42
KIT P10721 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
SCHEMBL6763997 0.86 RIPK1 (0.81) RIPK1GRIN1GRIN2BMEN1KMT2A
SCHEMBL15693637 0.81 HTT (0.69) MAPTALDH1A1LMNANPC1HTT
SCHEMBL27203243 0.80 RIPK1 (0.60) RIPK1GRIN1GRIN2BMEN1KMT2A
SCHEMBL6233917 0.79 MAPT (0.56) GRIN1GRIN2BMEN1KMT2AMAPT
SCHEMBL28777311 0.78 GAA (0.69) GRIN1GRIN2BMAPTKDM4ENPC1
SCHEMBL29725740 0.78 GAA (0.69) GRIN1GRIN2BMAPTKDM4ENPC1
SCHEMBL14837394 0.77 GRIN1 (0.60) RIPK1GRIN1GRIN2BMEN1KMT2A
SCHEMBL10475710 0.76 RIPK1 (0.61) RIPK1GRIN1GRIN2BMEN1KMT2A
SCHEMBL31154045 0.76 GRIN1 (0.62) RIPK1GRIN1GRIN2BMEN1KMT2A
SCHEMBL8027000 0.76 RIPK1 (0.58) RIPK1GRIN1GRIN2BMEN1KMT2A

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
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed