SCHEMBL28548656

SCHEMBL28548656

CCCNc1c(OCC2COC2)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 2/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTPS1 P17812 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL28548642 0.91 MAPT (0.45) MAPTGAAHCAR3ALDH1A1PKM
SCHEMBL28548646 0.90 MAPT (0.41) MAPTGAAHCAR3ALDH1A1PKM
SCHEMBL28912725 0.86 MAPT (0.44) MAPTGAAHCAR3ALDH1A1PKM
SCHEMBL28553322 0.85 KMT2A (0.46) MAPTGAAHCAR3ALDH1A1PKM
SCHEMBL21158909 0.84 IRAK4 (0.38) ALDH1A1HTTKMT2AIRAK4MEN1
SCHEMBL29200545 0.84 KDM4E (0.37) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL28548767 0.82 MAPT (0.37) MAPTGAAHCAR3ALDH1A1PKM
SCHEMBL28552449 0.81 PDE4D (0.47) MAPTGAAHCAR3ALDH1A1PKM
SCHEMBL21158078 0.81 LMNA (0.41) MAPTGAAALDH1A1PKMNPC1
SCHEMBL30803028 0.81 LMNA (0.41) MAPTGAAALDH1A1PKMNPC1

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-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed