SCHEMBL29956643

SCHEMBL29956643

CCNC(=O)CCOc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
ERN1 O75460 2/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL29953474 0.89 ALDH1A1 (0.53) RAB9ACYP2D6MAPK1MAPTKDM4E
SCHEMBL2559153 0.88 CYP2D6 (0.47) RAB9ACYP2D6MAPK1MAPTERN1
SCHEMBL2557533 0.81 ERN1 (0.50) RAB9ACYP2D6MAPK1MAPTERN1
SCHEMBL215546 0.81 CYP19A1 (0.54) RAB9ACYP2D6MAPK1MAPTERN1
SCHEMBL15331648 0.80 TSHR (0.64) MAPK1MAPTKDM4EHPGDTSHR
SCHEMBL15331888 0.80 KMT2A (0.49) RAB9ACYP2D6MAPK1MAPTKDM4E
SCHEMBL29954289 0.80 ALDH1A1 (0.51) CYP2D6MAPTKDM4EHTTHPGD
SCHEMBL28825735 0.79 MAPT (0.55) RAB9ACYP2D6MAPK1MAPTERN1
SCHEMBL31327257 0.79 MAPT (0.55) RAB9ACYP2D6MAPK1MAPTERN1
SCHEMBL4998777 0.79 MAPT (0.56) RAB9ACYP2D6MAPK1MAPTKDM4E

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