SCHEMBL23398648

SCHEMBL23398648

Cc1ccccc1-c1[nH]n(-c2ccccc2)c(=O)c1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
TP53 P04637 2/20 0.49
GAA P10253 4/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
ALOX15 P16050 2/20 0.43
POLB P06746 2/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 3/20 0.43
HTT P42858 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
PDGFRA P16234 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
SCHEMBL23400871 0.92 MAPT (0.48) MAPTTP53GAAHPGDMEN1
SCHEMBL23399474 0.88 MAPT (0.51) MAPTTP53GAAHPGDMEN1
SCHEMBL23402989 0.86 MAPT (0.38) MAPTTP53GAAHPGDMEN1
SCHEMBL23402263 0.85 MAPT (0.53) MAPTTP53GAAMEN1KMT2A
SCHEMBL23402651 0.82 MEN1 (0.58) MAPTGAAHPGDMEN1KMT2A
SCHEMBL23399311 0.81 BRD4 (0.41) MAPTTP53MEN1KMT2ANPC1
SCHEMBL23402484 0.80 MEN1 (0.49) MAPTGAAHPGDMEN1KMT2A
SCHEMBL23400836 0.79 MAPT (0.45) MAPTTP53GAAHPGDMEN1
SCHEMBL1261280 0.79 GAA (0.58) MAPTGAAHPGDMEN1KMT2A
SCHEMBL23402185 0.78 GAA (0.63) MAPTTP53GAAMEN1KMT2A

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