SCHEMBL11094243

SCHEMBL11094243

O=[N+]([O-])c1ccc(Oc2cccc(O)c2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
TBXA2R P21731 8/20 0.47
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GPR55 Q9Y2T6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSPB1 P04792 1/20 0.42

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
SCHEMBL15067679 0.84 MAPT (0.53) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL3507545 0.83 ALDH1A1 (0.53) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL3507438 0.83 MEN1 (0.65) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL23174950 0.82 MEN1 (0.50) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL9151842 0.81 TSHR (0.70) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL11342506 0.80 LMNA (0.54) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL29683621 0.80 HSPB1 (0.49) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL11177245 0.79 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL11092789 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL11091487 0.77 MAPK1 (0.57) ALDH1A1ALOX15TSHRMEN1KMT2A

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
US-4443248-A Phenoxyphenoxypropionic acids and derivatives, and their use as herbicides VELSICOL CHEMICAL CORPORATION (US) 1984-04-17 US disclosed