SCHEMBL29633573

SCHEMBL29633573

CC(C)(C)OC(=O)NNC(=O)c1ccc(NC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
ALOX5 P09917 1/20 0.40
ABCB1 P08183 1/20 0.40
HPGD P15428 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
SCHEMBL28736276 0.82 ALDH1A1 (0.44) MAPTRAB9ANPC1MAPK1TDP1
SCHEMBL3576370 0.82 ALDH1A1 (0.46) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL28939648 0.81 ALOX5 (0.42) MAPTLMNAMAPK1TDP1SMN1; SMN2
SCHEMBL28736352 0.80 SCN9A (0.44) MAPTRAB9ANPC1MAPK1MEN1
SCHEMBL28736454 0.80 SCN9A (0.44) MAPTRAB9ANPC1MAPK1MEN1
SCHEMBL4415459 0.78 ALDH1A1 (0.48) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL14233185 0.77 ALDH1A1 (0.44) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL1697905 0.76 RAB9A (0.61) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL29053481 0.76 CTSD (0.56) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL18797084 0.76 MEN1 (0.54) MAPTRAB9ANPC1LMNAMAPK1

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-107922457-B Delivery system for controlled drug release 森托瑞恩生物制药公司 2022-05-13 CN disclosed