SCHEMBL23400641

SCHEMBL23400641

Cc1cccc(-c2[nH]n(-c3cccc(C)c3)c(=O)c2C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.43
MAPT P10636 8/20 0.43
NOD2 Q9HC29 2/20 0.43
TNF P01375 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 7/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MGLL Q99685 1/20 0.39
LMNA P02545 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL23403208 0.93 GAA (0.47) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23401018 0.93 MAPT (0.46) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23402431 0.91 ALKBH5 (0.42) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23401452 0.91 HPGD (0.39) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL23398831 0.86 ALKBH3 (0.47) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23399474 0.83 MAPT (0.51) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23400441 0.83 ALKBH3 (0.37) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL23398689 0.83 MAPT (0.48) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23399884 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1NPC1MAPK1
SCHEMBL23401892 0.82 ALKBH5 (0.46) ALKBH5MAPTNOD2TNFTDP1

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