SCHEMBL28734086

SCHEMBL28734086

Nc1cc(C2=CCN(C(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL16262930 0.90 MAPT (0.50) QDPRLMNATSHRTDP1MAPT
SCHEMBL16262927 0.90 MAPT (0.50) QDPRLMNATSHRTDP1MAPT
SCHEMBL17398284 0.85 QDPR (0.47) QDPRLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL17398277 0.85 QDPR (0.47) QDPRLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL27037449 0.84 QDPR (0.54) QDPRMAPK1TSHRMAPTALDH1A1
SCHEMBL30778322 0.83 NAMPT (0.50) QDPRLMNAMAPTALDH1A1
SCHEMBL29656809 0.83 NAMPT (0.50) QDPRLMNAMAPTALDH1A1
SCHEMBL16262849 0.83 QDPR (0.51) QDPRLMNATSHRMAPTALDH1A1
SCHEMBL3986414 0.83 QDPR (0.44) QDPRLMNATSHRMAPTALDH1A1
SCHEMBL3986410 0.83 QDPR (0.44) QDPRLMNATSHRMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117460732-A Pyrrolopyridone compounds, preparation method and application thereof 杭州中美华东制药有限公司 2024-01-26 CN disclosed
CN-109721620-B HPK1 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-05-13 CN disclosed