SCHEMBL28548646

SCHEMBL28548646

CCCNc1c(OCCC2COC2)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
GAA P10253 2/20 0.41
HCAR3 P49019 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PRSS1 P07477 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL28558130 0.90 MAPT (0.41) MAPTGAAHCAR3ALDH1A1CRHBP
SCHEMBL28548656 0.90 MAPT (0.42) MAPTGAAHCAR3ALDH1A1CRHBP
SCHEMBL21158729 0.85 TSHR (0.35) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL28912725 0.84 MAPT (0.44) MAPTGAAHCAR3ALDH1A1CRHBP
SCHEMBL28548642 0.83 MAPT (0.45) MAPTGAAHCAR3ALDH1A1CRHBP
SCHEMBL28556407 0.82 MAPT (0.36) MAPTGAAHCAR3ALDH1A1CRHBP
SCHEMBL28556386 0.82 MAPT (0.40) MAPTGAAHCAR3ALDH1A1CRHBP
SCHEMBL21156963 0.81 LMNA (0.40) MAPTGAAALDH1A1CRHBPCRHR2
SCHEMBL28553322 0.80 KMT2A (0.46) MAPTGAAHCAR3ALDH1A1CRHBP
SCHEMBL28552449 0.80 PDE4D (0.47) MAPTGAAHCAR3ALDH1A1CRHBP

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