SCHEMBL29951867

SCHEMBL29951867

Cc1cc([N+](=O)[O-])cc2c(C=O)c(-c3ccc(F)cc3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
PTGS2 P35354 1/20 0.40
MAPK14 Q16539 2/20 0.39
GCGR P47871 1/20 0.39
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK13 O15264 1/20 0.37
RIPK2 O43353 1/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 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
SCHEMBL15331366 1.00 SMN1; SMN2 (0.40) SMN1; SMN2PTGS2MAPK14GCGRLMNA
SCHEMBL15332557 0.90 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL15332084 0.87 CNR1 (0.40) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL29955457 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MAPK14LMNAMAPTALDH1A1
SCHEMBL15329681 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPK14LMNAMAPTALDH1A1
SCHEMBL29954645 0.82 TNKS2 (0.40) SMN1; SMN2PTGS2MAPK14GCGRMAPT
SCHEMBL15331031 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL15333338 0.81 CYP19A1 (0.43) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL15330463 0.79 MEN1 (0.48) SMN1; SMN2MAPK14GCGRLMNAMAPT
SCHEMBL15329514 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MAPK14GCGRMAPTALDH1A1

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