SCHEMBL30183706

SCHEMBL30183706

COC(=O)c1ccc2c(c1)N(C)C(=O)C2(O)C[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
CHRM5 P08912 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
VCAM1 P19320 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
RAD52 P43351 1/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTPRC P08575 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 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
SCHEMBL23577908 1.00 CASP3 (0.44) CASP3CHRM5POLBSMN1; SMN2CBX7
SCHEMBL23591099 0.84 CASP3 (0.46) CASP3POLBSMN1; SMN2CBX7CDYL2
SCHEMBL30183749 0.83 CASP3 (0.45) CASP3POLBSMN1; SMN2CBX7CDYL2
SCHEMBL23577606 0.83 CASP3 (0.45) CASP3POLBSMN1; SMN2CBX7CDYL2
SCHEMBL23591296 0.82 CASP3 (0.44) CASP3POLBSMN1; SMN2CBX7CDYL2
SCHEMBL38660490 0.79 CASP3 (0.41) CASP3POLBSMN1; SMN2CBX7CDYL2
SCHEMBL23578330 0.77 CASP3 (0.49) CASP3POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL30183667 0.77 CASP3 (0.49) CASP3POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL16377147 0.76 RAD52 (0.63) SMN1; SMN2CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL16324200 0.76 CASP3 (0.50) CASP3POLBSMN1; SMN2ALDH1A1LMNA

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
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 CN disclosed