SCHEMBL28834758

SCHEMBL28834758

COC(=O)c1cc2c(cc1[N+](=O)[O-])CCN2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SIRT6 Q8N6T7 1/20 0.46
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CHEK1 O14757 1/20 0.38
VCAM1 P19320 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 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
SCHEMBL25624261 0.81 SIRT6 (0.53) MAPTALDH1A1SIRT6PDGFRBFGFR1
SCHEMBL15482828 0.79 MAPT (0.60) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28834807 0.78 ALDH1A1 (0.46) MAPTALDH1A1SIRT6PDGFRBFGFR1
SCHEMBL29901692 0.78 ALDH1A1 (0.46) MAPTALDH1A1SIRT6PDGFRBFGFR1
Acetic Acid SCHEMBL10988192 0.77 ALDH1A1 (0.51) MAPTALDH1A1SIRT6TDP1MEN1
SCHEMBL21468508 0.77 SIRT6 (0.50) MAPTALDH1A1SIRT6PDGFRBFGFR1
SCHEMBL2205220 0.77 ALDH1A1 (0.57) MAPTALDH1A1SIRT6TDP1MEN1
SCHEMBL29581365 0.77 ALDH1A1 (0.57) MAPTALDH1A1SIRT6TDP1MEN1
SCHEMBL14539708 0.76 MAPT (0.41) MAPTALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL8526291 0.74 HTR2A (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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