SCHEMBL16618604

SCHEMBL16618604

[N-]=[N+]=NCc1ccc([N+](=O)[O-])c(CCO)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
CHEK1 O14757 1/20 0.34
SNCA P37840 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GPR35 Q9HC97 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL30435358 0.85 TSHR (0.38) TSHRPOLBSNCAALDH1A1GPR35
SCHEMBL25272699 0.83 GRIA2 (0.31) CYP1A2
SCHEMBL28623192 0.79 TSHR (0.49) TSHRPOLBCYP1A2CHEK1SNCA
SCHEMBL30208637 0.79 TSHR (0.49) TSHRPOLBCYP1A2CHEK1SNCA
SCHEMBL25259135 0.78
SCHEMBL14270203 0.77 MAPT (0.44) TSHRSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL4978604 0.77 TSHR (0.46) TSHRPOLBCYP1A2CHEK1SNCA
SCHEMBL5284482 0.77 TSHR (0.46) TSHRPOLBCYP1A2CHEK1SNCA
SCHEMBL13576811 0.76 MAPT (0.42) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL14270204 0.75 TTR (0.45) SMN1; SMN2ALDH1A1MAPTLMNA

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 4 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
EP-3052653-A1 A METHOD OF IDENTIFYING OR PRODUCING AN APTAMER Tolle, Fabian (DE) 2016-08-10 EP disclosed
WO-2015049356-A1 A METHOD OF IDENTIFYING OR PRODUCING AN APTAMER TOLLE FABIAN (DE) 2015-04-09 WO disclosed