SCHEMBL23398689

SCHEMBL23398689

Cc1cccc(-n2[nH]c(C)c(C(C)(C)C)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
NOD2 Q9HC29 2/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
MPL P40238 1/20 0.46
GAA P10253 7/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL23401892 0.87 ALKBH5 (0.46) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1261280 0.84 GAA (0.58) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23400641 0.83 ALKBH5 (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23401329 0.83 ALKBH5 (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23400876 0.83 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23402431 0.82 ALKBH5 (0.42) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23401018 0.82 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23399092 0.81 ALKBH5 (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23401754 0.81 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23399474 0.80 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2NPC1

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