SCHEMBL5325354

SCHEMBL5325354

Cc1c([N+](=O)[O-])ccc(OCC(C)(O)C(C)O)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
AR P10275 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL5321538 0.86 ALDH1A1 (0.39) L3MBTL1ALDH1A1HTTKMT2AAR
SCHEMBL5325348 0.81 L3MBTL1 (0.43) L3MBTL1ALDH1A1HTTKMT2AAR
SCHEMBL5325906 0.80 KMT2A (0.37) ALDH1A1HTTKMT2AMAPTAAK1
SCHEMBL5323899 0.78 AAK1 (0.37) AAK1
SCHEMBL34472997 0.76 TDP1 (0.43) ALDH1A1HTTKMT2AKDM4ETDP1
SCHEMBL5323321 0.75 ALDH1A1 (0.50) L3MBTL1ALDH1A1HTTKMT2AKDM4E
SCHEMBL5329375 0.75 ALDH1A1 (0.50) L3MBTL1ALDH1A1HTTKMT2AKDM4E
SCHEMBL14397187 0.72 PTGES (0.39) L3MBTL1ALDH1A1HTTKMT2AKDM4E
SCHEMBL5328476 0.71 KMT2A (0.38) L3MBTL1ALDH1A1HTTKMT2AMAPT
SCHEMBL5325901 0.71 KMT2A (0.38) L3MBTL1ALDH1A1HTTKMT2AMAPT

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-2007121416-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 WO disclosed