SCHEMBL23403185

SCHEMBL23403185

Cc1cccc(-n2[nH]c(-c3ccccc3C)c(C)c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
TDP1 Q9NUW8 2/20 0.55
TNF P01375 1/20 0.55
NOD2 Q9HC29 1/20 0.55
NOD1 Q9Y239 1/20 0.55
ALKBH5 Q6P6C2 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
CASP6 P55212 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MGLL Q99685 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL23399474 0.87 MAPT (0.51) MAPTTDP1TNFNOD2NOD1
SCHEMBL23402263 0.87 MAPT (0.53) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL23400771 0.84 MAPT (0.54) MAPTTDP1TNFNOD2NOD1
SCHEMBL23400613 0.84 MAPT (0.51) MAPTTDP1TNFNOD2NOD1
SCHEMBL23403255 0.84 MAPT (0.52) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL23399337 0.83 MAPT (0.53) MAPTTDP1TNFNOD2NOD1
SCHEMBL23403041 0.83 ALKBH3 (0.55) MAPTTDP1TNFNOD2NOD1
SCHEMBL23403339 0.82 MAPT (0.49) MAPTTDP1TNFNOD2NOD1
SCHEMBL23398831 0.81 ALKBH3 (0.47) MAPTTDP1TNFNOD2NOD1
SCHEMBL23403427 0.80 ALKBH3 (0.49) MAPTTDP1TNFNOD2NOD1

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