SCHEMBL23401134

SCHEMBL23401134

CCn1[nH]cc(-c2cccc(C)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LYN P07948 1/20 0.40
MAOB P27338 2/20 0.38
FYN P06241 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
TDP2 O95551 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL23402689 0.88 ALDH1A1 (0.42) MAPK14KMT2AMEN1GAAALDH1A1
SCHEMBL23402063 0.86 KDM4E (0.48) MAPK14KMT2AMEN1GAAALDH1A1
SCHEMBL23400222 0.84 MEN1 (0.41) MAPK14KMT2AMEN1GAAALDH1A1
SCHEMBL23400853 0.82 MEN1 (0.44) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL23400881 0.81 MEN1 (0.36) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL23402811 0.80 KMT2A (0.43) KMT2AMEN1GAAMAOBFYN
SCHEMBL23400468 0.76 KMT2A (0.61) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL23402882 0.76 KMT2A (0.40) KMT2AMEN1GAAALDH1A1MAOB
SCHEMBL23399448 0.76 ALDH1A1 (0.40) KMT2AMEN1GAAALDH1A1MAOB
SCHEMBL23400435 0.75 KMT2A (0.72) KMT2AMEN1GAASMN1; SMN2

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