SCHEMBL28828140

SCHEMBL28828140

CCc1coc(N(CC)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
ATM Q13315 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL27771674 0.74 MAPT (0.45) ARMAPTALDH1A1L3MBTL1MEN1
Bromide SCHEMBL28828061 0.73 MAPT (0.44) ARMAPTALDH1A1L3MBTL1MEN1
SCHEMBL4833873 0.72 POLB (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL27877152 0.71 POLB (0.53) ARMAPTALDH1A1L3MBTL1MEN1
SCHEMBL5843017 0.70 ALDH1A1 (0.70) ARMAPTALDH1A1L3MBTL1MEN1
SCHEMBL28468333 0.70 ACHE (0.64) ARMAPTALDH1A1L3MBTL1MEN1
SCHEMBL15990731 0.67 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL17429759 0.67 SMN1; SMN2 (0.39) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL500100 0.67 SMN1; SMN2 (0.39) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL160430 0.66 ALDH1A1 (0.57) MAPTALDH1A1L3MBTL1MEN1KMT2A

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-114939117-A Method of treating vascular leak syndrome 视点制药公司 2022-08-26 CN disclosed