SCHEMBL5284482

SCHEMBL5284482

O=[N+]([O-])c1ccc(CBr)cc1CCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
SNCA P37840 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CHEK1 O14757 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PTPN1 P18031 1/20 0.34
CASP6 P55212 1/20 0.34

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
SCHEMBL3890238 0.89 POLB (0.49) TSHRPOLBSMN1; SMN2SNCAALDH1A1
SCHEMBL30208637 0.87 TSHR (0.49) TSHRPOLBSMN1; SMN2SNCAALDH1A1
SCHEMBL28623192 0.87 TSHR (0.49) TSHRPOLBSMN1; SMN2SNCAALDH1A1
SCHEMBL26979837 0.84 TSHR (0.40) TSHRPOLBSMN1; SMN2SNCAALDH1A1
SCHEMBL4978604 0.84 TSHR (0.46) TSHRPOLBSMN1; SMN2SNCAALDH1A1
SCHEMBL4052059 0.81 TSHR (0.40) TSHRPOLBSMN1; SMN2SNCAALDH1A1
SCHEMBL4343294 0.80 TSHR (0.41) TSHRSNCAALDH1A1MAPTCYP1A2
SCHEMBL9477777 0.78 BACE1 (0.47) TSHRSNCAALDH1A1CYP1A2GPR35
SCHEMBL5291056 0.77 ALDH1A1 (0.38) TSHRPOLBSMN1; SMN2SNCAALDH1A1
SCHEMBL1117240 0.77 TSHR (0.50) TSHRPOLBSMN1; SMN2SNCAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180237-A1 METHOD AND COMPOUND ATDBio Limited (GB) 2023-09-28 WO disclosed
WO-2023099471-A1 METHOD FOR PRODUCING POLYNUCLEOTIDES ATDBio Limited (GB) 2023-06-08 WO disclosed
CN-101184996-A Electrochemical detection method INVERNESS MEDICAL SWITZERLAND (CH) 2008-05-21 CN disclosed
EP-1866645-A2 ELECTROCHEMICAL ASSAY Inverness Medical Switzerland GmbH (CH) 2007-12-19 EP disclosed
WO-2006103450-A2 ELECTROCHEMICAL ASSAY INVERNESS MEDICAL SWITZERLAND GMBH (CH) 2006-10-05 WO disclosed