SCHEMBL23399696

SCHEMBL23399696

Cc1ccc(-n2[nH]cc(-c3ccccc3)c2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 2/20 0.63
MAPT P10636 4/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.44
ALOX15 P16050 1/20 0.44
DDAH1 O94760 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.42
GRM1 Q13255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
VHL P40337 1/20 0.42
P4HTM Q9NXG6 1/20 0.41

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
SCHEMBL23400092 0.94 GAA (0.72) GAAMEN1KMT2ANPC1MAPT
SCHEMBL23402975 0.92 MEN1 (0.59) GAAMEN1KMT2ANPC1MAPT
SCHEMBL23399068 0.86 MEN1 (0.59) GAAMEN1KMT2ANPC1MAPT
SCHEMBL23401735 0.83 KMT2A (0.64) GAAMEN1KMT2ANPC1MAPT
SCHEMBL23400435 0.83 KMT2A (0.72) GAAMEN1KMT2ANPC1MAPT
SCHEMBL23398494 0.83 MAPT (0.47) GAAMEN1KMT2ANPC1MAPT
SCHEMBL23400542 0.80 KMT2A (0.55) GAAMEN1KMT2ANPC1MAPT
SCHEMBL23400320 0.78 MEN1 (0.49) GAAMEN1KMT2ANPC1MAPT
SCHEMBL23398977 0.77 MEN1 (0.51) GAAMEN1KMT2ANPC1MAPT
SCHEMBL11391211 0.76 MEN1 (0.86) GAAMEN1KMT2ANPC1MAPT

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