SCHEMBL29956412

SCHEMBL29956412

CCNC(=O)CN(C)c1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 7/20 0.44
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH3A1 P30838 1/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2556619 0.88 ERN1 (0.48) ERN1MAPTHTTKDM4ETP53
SCHEMBL2553715 0.82 ERN1 (0.50) ERN1MAPTHTTTP53ALDH1A1
SCHEMBL29956046 0.81 MPO (0.38) ERN1MAPTHTTKDM4EALDH1A1
SCHEMBL29957587 0.80 ALDH3A1 (0.57) MAPTALDH1A1LMNAL3MBTL1ALDH3A1
SCHEMBL29951605 0.78 ALDH1A1 (0.54) ERN1MAPTHTTKDM4ETP53
SCHEMBL29957679 0.76 NOTUM (0.39) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL29953474 0.76 ALDH1A1 (0.53) ERN1MAPTHTTKDM4EALDH1A1
SCHEMBL28886073 0.75 ERN1 (0.57) ERN1MAPTHTTKDM4ETP53
SCHEMBL4749290 0.75 ERN1 (0.50) ERN1MAPTHTTKDM4ETP53
SCHEMBL29956643 0.75 RAB9A (0.46) ERN1MAPTHTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed