SCHEMBL23401754

SCHEMBL23401754

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
ALKBH5 Q6P6C2 1/20 0.51
NOD2 Q9HC29 2/20 0.50
TNF P01375 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOD1 Q9Y239 1/20 0.50
GAA P10253 6/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALKBH3 Q96Q83 2/20 0.48
HSP90AA1 P07900 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL13219706 0.85 ALKBH5 (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4324454 0.82 GAA (0.66) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23398689 0.81 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23398831 0.81 ALKBH3 (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23399141 0.81 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23402127 0.81 ALKBH5 (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23402868 0.81 ALKBH5 (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23401905 0.81 GAA (0.51) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23403041 0.80 ALKBH3 (0.55) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23403427 0.80 ALKBH3 (0.49) 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