SCHEMBL7945679

SCHEMBL7945679

NC(=O)c1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.62
KDM4E B2RXH2 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 1/20 0.62
ADRB1 P08588 1/20 0.61
DNMT1 P26358 1/20 0.61
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PNP P00491 1/20 0.53
LMNA P02545 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PIM1 P11309 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL13530212 0.88 KDM4E (0.62) TP53KDM4ETDP1MAPTADRB1
SCHEMBL6896687 0.88 ADRB1 (0.58) TP53KDM4ETDP1MAPTADRB1
SCHEMBL14625616 0.86 TP53 (0.72) TP53KDM4ETDP1MAPTADRB1
SCHEMBL9698406 0.83 ADRB1 (0.54) TP53KDM4ETDP1MAPTADRB1
SCHEMBL19101645 0.82 ADRB1 (0.52) TP53KDM4ETDP1MAPTADRB1
SCHEMBL22606711 0.80 ADRB1 (0.61) TP53ADRB1DNMT1HTTSMN1; SMN2
SCHEMBL23865500 0.80 ADRB1 (0.60) TP53ADRB1DNMT1HTTSMN1; SMN2
SCHEMBL29619496 0.79 FBP1 (0.56) FBP1ATIC
SCHEMBL21888115 0.78 ATIC (0.51) TP53KDM4ETDP1MAPTADRB1
SCHEMBL6380096 0.78 ADRB1 (0.53) TP53ADRB1DNMT1HTTSMN1; SMN2

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
US-6312892-B1 A METHOD FOR DETECTING SINGLE BASE CHANGES, INSERTIONS, DELETIONS OR TRANSLOCATION OF NUCLEOTIDE SEQUENCES USING LIGASE DETECTION REACTION; FOR CANCER DETECTION CORNELL RESEARCH FOUNDATION, INC. 2001-11-06 US claimed
EP-0956359-A1 HIGH FIDELITY DETECTION OF NUCLEIC ACID DIFFERENCES BY LIGASE DETECTION REACTION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-11-17 EP claimed
WO-1998003673-A1 HIGH FIDELITY DETECTION OF NUCLEIC ACID DIFFERENCES BY LIGASE DETECTION REACTION CORNELL RESEARCH FOUNDATION, INC. (US) 1998-01-29 WO claimed
EP-4154913-A1 CONJUGATES OF GLUCAGON AND AMPK ACTIVATORS Københavns Universitet (DK) 2023-03-29 EP disclosed