SCHEMBL23400331

SCHEMBL23400331

CCn1c(=O)c(N)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 2/20 0.38
HSD11B1 P28845 1/20 0.38
HTT P42858 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35
PTGS1 P23219 1/20 0.35
PABPC1 P11940 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
ALOX15 P16050 2/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL23402879 0.88 BCHE (0.45) BCHEPTGS2SMN1; SMN2POLBRECQL
SCHEMBL23401360 0.85 BCHE (0.43) BCHEPTGS2SMN1; SMN2POLBRECQL
SCHEMBL23400776 0.84 BCHE (0.41) BCHEPTGS2SMN1; SMN2POLBKDM4E
SCHEMBL23400462 0.83 ALDH1A1 (0.45) BCHEPTGS2SMN1; SMN2RECQLHSD11B1
SCHEMBL23400232 0.81 BCHE (0.58) BCHEPTGS2POLBHSD11B1KDM4E
SCHEMBL23402967 0.80 BCHE (0.51) BCHEPTGS2SMN1; SMN2RECQLHTT
SCHEMBL23400971 0.79 BCHE (0.45) BCHEPTGS2POLBHSD11B1ALDH1A1
SCHEMBL23398382 0.79 BCHE (0.56) BCHEPTGS2SMN1; SMN2POLBKDM4E
SCHEMBL23402641 0.77 BCHE (0.43) BCHEPTGS2POLBHSD11B1KDM4E
SCHEMBL3694660 0.76 BCHE (0.65) BCHEPTGS2SMN1; SMN2POLBKDM4E

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