SCHEMBL23399012

SCHEMBL23399012

Cn1c(=O)c(NC=O)c(C(C)(C)C)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.44
FPR1 P21462 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 7/20 0.41
ALDH1A1 P00352 6/20 0.41
BCHE P06276 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL23401508 0.88 ALDH1A1 (0.43) FPR2FPR1SMN1; SMN2TDP1GAA
SCHEMBL23401111 0.84 FPR2 (0.38) FPR2FPR1SMN1; SMN2TDP1GAA
SCHEMBL23403472 0.83 FPR2 (0.38) FPR2FPR1SMN1; SMN2TDP1GAA
SCHEMBL23398790 0.82 FPR2 (0.37) FPR2FPR1SMN1; SMN2TDP1GAA
SCHEMBL23402894 0.82 FPR2 (0.39) FPR2FPR1SMN1; SMN2TDP1GAA
SCHEMBL23400001 0.82 ALDH1A1 (0.41) FPR2FPR1SMN1; SMN2TDP1GAA
SCHEMBL23403006 0.81 KMT2A (0.37) FPR2FPR1SMN1; SMN2TDP1GAA
SCHEMBL23399779 0.81 BCHE (0.51) SMN1; SMN2GAAALDH1A1BCHEPTGS2
SCHEMBL23403348 0.80 GAA (0.39) FPR2FPR1SMN1; SMN2TDP1GAA
SCHEMBL23400047 0.80 ALDH1A1 (0.38) FPR2FPR1SMN1; SMN2TDP1GAA

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