SCHEMBL28834792

SCHEMBL28834792

COC(=O)c1cc2c(ccn2C2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.42
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 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
SCHEMBL28834819 0.83 ALDH1A1 (0.44) MAPTGAAHPGDLMNAALDH1A1
SCHEMBL29901699 0.80 SIRT6 (0.41) SIRT6MAPTSMN1; SMN2HPGDHTT
SCHEMBL28834777 0.79 CNR2 (0.40) SIRT6SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL20606477 0.75 IRAK4 (0.55) SIRT6
SCHEMBL3359093 0.73 ALDH1A1 (0.41) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL31438003 0.72 FGFR1 (0.43) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL15998985 0.72 HTR3A (0.43) KMT2AMEN1MAPTALDH1A1
SCHEMBL20606373 0.72 IRAK4 (0.49) SIRT6
SCHEMBL20606510 0.72 IRAK4 (0.49) SIRT6
SCHEMBL29267729 0.71 SIRT6 (0.47) SIRT6KMT2AMEN1MAPTGAA

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-115028644-A SOS1 inhibitor heterocyclic compounds 首药控股(北京)股份有限公司 2022-09-09 CN disclosed