SCHEMBL30899306

SCHEMBL30899306

O=S(=O)(c1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
CNR1 P21554 5/20 0.45
ALDH1A1 P00352 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.41
GSTO1 P78417 1/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 2/20 0.40
GBA1 P04062 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 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
SCHEMBL24512314 1.00 CNR2 (0.47) CNR2KMT2AMEN1GAAPOLB
SCHEMBL24512138 0.92 CNR2 (0.48) CNR2KMT2AMEN1GAAPOLB
SCHEMBL30899304 0.84 KMT2A (0.50) CNR2KMT2AMEN1GAAPOLB
SCHEMBL24512335 0.84 KMT2A (0.50) CNR2KMT2AMEN1GAAPOLB
SCHEMBL24512246 0.82 CNR1 (0.46) CNR2KMT2AMEN1GAAPOLB
SCHEMBL30899273 0.82 ALDH1A1 (0.56) CNR2KMT2AMEN1GAAPOLB
SCHEMBL24512267 0.82 ALDH1A1 (0.56) CNR2KMT2AMEN1GAAPOLB
SCHEMBL29717111 0.81 CNR1 (0.64) CNR2CNR1ALDH1A1L3MBTL1MAPT
SCHEMBL24512245 0.81 CNR1 (0.64) CNR2CNR1ALDH1A1L3MBTL1MAPT
SCHEMBL24512119 0.79 GAA (0.46) CNR2KMT2AMEN1GAAPOLB

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
CN-117915903-A Compounds for the treatment of neurodegenerative, degenerative and metabolic disorders and uses thereof 佛罗里达大学研究基金会公司 2024-04-19 CN disclosed