SCHEMBL28587144

SCHEMBL28587144

CC(c1c[nH]c2ccccc12)[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.57
FFAR1 O14842 2/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.50
SRC P12931 2/20 0.46
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
NR3C1 P04150 1/20 0.42

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
SCHEMBL10946483 0.84 GPR84 (0.58) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL19168539 0.80 MAPT (0.62) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL28592536 0.80 GPR84 (0.59) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL6492524 0.78 KMT2A (0.64) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL27326824 0.78 MEN1 (0.50) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL27946627 0.77 SRC (0.53) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL29356418 0.77 GPR84 (0.67) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL1239890 0.77 GPR84 (0.67) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL12894952 0.77 GPR84 (0.67) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL5513681 0.77 GPR84 (0.67) GPR84FFAR1KMT2AMEN1HTR2A

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-112961093-A Method for reducing C = C double bond of nitroolefin with high selectivity 北京化工大学 2021-06-15 CN disclosed