SCHEMBL23401736

SCHEMBL23401736

CC(C)Cn1c(=O)c(N)c(C(C)(C)C)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
PTGS2 P35354 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
PKM P14618 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
POLB P06746 1/20 0.35
ABCB1 P08183 5/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL23402641 0.84 BCHE (0.43) BCHEPTGS2L3MBTL1TSHRTDP1
SCHEMBL23400210 0.82 BCHE (0.44) BCHEPTGS2L3MBTL1TDP1LMNA
SCHEMBL23401089 0.82 ALDH1A1 (0.42) BCHEPTGS2L3MBTL1SMN1; SMN2LMNA
SCHEMBL23400664 0.81 BCHE (0.54) BCHEPTGS2L3MBTL1SMN1; SMN2TSHR
SCHEMBL23401295 0.80 BCHE (0.42) BCHEPTGS2L3MBTL1SMN1; SMN2TDP1
SCHEMBL23400776 0.79 BCHE (0.41) BCHEPTGS2L3MBTL1SMN1; SMN2TSHR
SCHEMBL23400159 0.79 BCHE (0.41) BCHEPTGS2L3MBTL1SMN1; SMN2TSHR
SCHEMBL23403584 0.79 BCHE (0.53) BCHEPTGS2L3MBTL1SMN1; SMN2TSHR
SCHEMBL23401596 0.78 BCHE (0.43) BCHEPTGS2L3MBTL1SMN1; SMN2TDP1
SCHEMBL23401048 0.76 BCHE (0.54) BCHEPTGS2L3MBTL1SMN1; SMN2TSHR

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