SCHEMBL7548864

SCHEMBL7548864

C=CC(=O)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
TYMS P04818 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL226893 0.86 ALDH1A1 (0.51) RAB9APOLBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27772559 0.84 ALDH1A1 (0.50) RAB9APOLBMEN1KMT2AALDH1A1
SCHEMBL168448 0.82 RAB9A (0.47) GPR35TSHRRAB9APOLBMEN1
SCHEMBL168447 0.82 RAB9A (0.47) GPR35TSHRRAB9APOLBMEN1
SCHEMBL3206927 0.82 GPR35 (0.55) GPR35TSHRRAB9APOLBMEN1
SCHEMBL48359 0.82 GPR35 (0.55) GPR35TSHRRAB9APOLBMEN1
SCHEMBL28968191 0.81 THRB (0.51) RAB9APOLBMEN1KMT2AALDH1A1
SCHEMBL48360 0.81 GPR35 (0.53) GPR35TSHRRAB9APOLBMEN1
SCHEMBL48361 0.81 GPR35 (0.53) GPR35TSHRRAB9APOLBMEN1
SCHEMBL1652615 0.80 GPR35 (0.51) GPR35TSHRRAB9APOLBMEN1

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-1208238-A1 METHODS OF IMMOBILIZING LIGANDS ON SOLID SUPPORTS AND APPARATUS AND METHODS OF USE THEREFOR Mosaic Technologies (US) 2002-05-29 EP disclosed
WO-2001016372-A1 METHODS OF IMMOBILIZING LIGANDS ON SOLID SUPPORTS AND APPARATUS AND METHODS OF USE THEREFOR MATRIX TECHNOLOGIES CORPORATION (US) 2001-03-08 WO disclosed