SCHEMBL23398776

SCHEMBL23398776

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOD1 Q9Y239 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 4/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
VHL P40337 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
CASP6 P55212 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MGLL Q99685 1/20 0.41
TP53 P04637 1/20 0.40
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40

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
SCHEMBL23401887 0.86 GAA (0.56) MAPTMEN1KMT2AGAANPC1
SCHEMBL23401735 0.84 KMT2A (0.64) MAPTTNFNOD2TDP1NOD1
SCHEMBL23398494 0.84 MAPT (0.47) MAPTMEN1KMT2AGAANPC1
SCHEMBL23400468 0.82 KMT2A (0.61) MAPTTNFNOD2TDP1NOD1
SCHEMBL23402277 0.82 L3MBTL1 (0.50) MAPTTNFNOD2TDP1NOD1
SCHEMBL23400542 0.81 KMT2A (0.55) MAPTTNFNOD2TDP1NOD1
SCHEMBL23400435 0.78 KMT2A (0.72) MAPTTNFNOD2TDP1NOD1
SCHEMBL23403074 0.77 VHL (0.47) MAPTTDP1MEN1KMT2AGAA
SCHEMBL23403185 0.76 MAPT (0.55) MAPTTNFNOD2TDP1NOD1
SCHEMBL23398602 0.75 ALKBH5 (0.44) MAPTTNFNOD2TDP1NOD1

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