SCHEMBL29953474

SCHEMBL29953474

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 5/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
ERN1 O75460 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL15331888 0.91 KMT2A (0.49) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL29956643 0.89 RAB9A (0.46) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL2561464 0.88 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL29956598 0.87 MAPT (0.46) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL2556198 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL2556381 0.86 SMN1; SMN2 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL2563279 0.84 SMN1; SMN2 (0.58) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7359228 0.84 RAB9A (0.44) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL3997757 0.84 ALDH1A1 (0.60) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL2552640 0.83 MAPT (0.48) ALDH1A1MAPTLMNASMN1; SMN2KDM4E

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