SCHEMBL23400565

SCHEMBL23400565

Cc1cccc(-n2c(=O)c(N)c(-c3ccccc3)n2-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
BCHE P06276 1/20 0.48
KMT2A Q03164 5/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MGLL Q99685 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
GRM1 Q13255 1/20 0.39
RPA1 P27694 1/20 0.39

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
SCHEMBL23402523 0.87 BCHE (0.51) PTGS2BCHEKMT2ARAB9ANPC1
SCHEMBL23402967 0.86 BCHE (0.51) PTGS2BCHEKMT2ARAB9ANPC1
SCHEMBL23401173 0.84 BCHE (0.59) PTGS2BCHEKMT2ARAB9ANPC1
SCHEMBL23400760 0.84 BCHE (0.59) PTGS2BCHEKMT2ARAB9ANPC1
SCHEMBL23402987 0.79 BCHE (0.47) PTGS2BCHEKMT2ARAB9ANPC1
SCHEMBL23401185 0.79 BCHE (0.47) PTGS2BCHEKMT2ARAB9ANPC1
SCHEMBL23402427 0.78 BCHE (0.49) PTGS2BCHEKMT2AL3MBTL1ALDH1A1
SCHEMBL23403640 0.78 MAPK1 (0.44) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL23401802 0.77 ALDH1A1 (0.44) PTGS2BCHEKMT2ARAB9ANPC1
SCHEMBL23398382 0.75 BCHE (0.56) PTGS2BCHEKMT2ASMN1; SMN2ALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed