SCHEMBL29957232

SCHEMBL29957232

CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
MAPT P10636 9/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
KMT2A Q03164 2/20 0.51
LMNA P02545 4/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL15331542 0.91 KMT2A (0.58) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1
SCHEMBL29954001 0.90 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2POLBKMT2A
SCHEMBL29954289 0.88 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1
SCHEMBL2561787 0.88 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1
SCHEMBL15330685 0.87 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1
SCHEMBL29955385 0.87 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1
SCHEMBL2559178 0.86 SMN1; SMN2 (0.50) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1
SCHEMBL15330441 0.84 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1
SCHEMBL2557303 0.84 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1
SCHEMBL531660 0.84 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2POLBCTDSP1

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