SCHEMBL21295321

SCHEMBL21295321

C#CCCCCC#Cc1c[nH]c(=O)nc1N

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TLR8 Q9NR97 1/20 0.31
PTPN1 P18031 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL31045510 0.97 TLR8 (0.31) TLR8
SCHEMBL3819939 0.84 ADORA3 (0.40) KDM4ECYP1A2CYP3A4MAPTCYP2C9
SCHEMBL3817459 0.81 TLR8 (0.48) CYP3A4TLR8
SCHEMBL2906856 0.81 TLR7 (0.34) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL3485208 0.77 TLR8 (0.34) TLR8
SCHEMBL2931429 0.74 DPYD (0.42)
SCHEMBL21295318 0.72 DPYD (0.54) ALDH1A1MAPT
SCHEMBL28928674 0.69 CHUK (0.32)
SCHEMBL31045516 0.69 DPYD (0.54) ALDH1A1MAPT
SCHEMBL8676844 0.68 PTPN11 (0.37) PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4365306-A9 METHODS FOR DETECTING TARGET POLYNUCLEOTIDES NunaBio Limited (GB) 2024-07-03 EP disclosed
EP-4365306-A2 METHODS FOR DETECTING TARGET POLYNUCLEOTIDES NunaBio Limited (GB) 2024-05-08 EP disclosed
EP-3759253-B1 METHODS FOR DETECTING TARGET POLYNUCLEOTIDES NUNABIO LTD (GB) 2024-03-27 EP disclosed
US-20210079449-A1 METHODS FOR DETECTING TARGET POLYNUCLEOTIDES NunaBio Limited (GB) 2021-03-18 US disclosed
EP-3759253-A1 METHODS FOR DETECTING TARGET POLYNUCLEOTIDES University of Newcastle Upon Tyne (GB) 2021-01-06 EP disclosed
WO-2019162699-A1 METHODS FOR DETECTING TARGET POLYNUCLEOTIDES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2019-08-29 WO disclosed