SCHEMBL29956598

SCHEMBL29956598

N#CCNC(=O)COc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ERN1 O75460 1/20 0.43
RAB9A P51151 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 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
SCHEMBL2556198 0.89 ALDH1A1 (0.46) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL29953474 0.87 ALDH1A1 (0.53) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL15331888 0.85 KMT2A (0.49) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL2561464 0.84 ALDH1A1 (0.51) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL2556381 0.83 SMN1; SMN2 (0.50) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL2563279 0.81 SMN1; SMN2 (0.58) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL2559585 0.81 PTGDR2 (0.61) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2561656 0.81 GAA (0.47) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL7359228 0.81 RAB9A (0.44) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL3997757 0.81 ALDH1A1 (0.60) MAPTALDH1A1LMNASMN1; SMN2ERN1

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