SCHEMBL29656802

SCHEMBL29656802

CN1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HRH4 Q9H3N8 2/20 0.50
MAP4K4 O95819 1/20 0.48
HTR3A P46098 3/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL3568875 1.00 SIRT6 (0.56) SIRT6MAPTALDH1A1MAPK1POLB
SCHEMBL2416849 0.86 MAPT (0.69) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL3598727 0.86 MAPT (0.69) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL20089103 0.85 ALDH1A1 (0.72) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL17973907 0.82 MAPT (0.47) SIRT6MAPTALDH1A1MAPK1POLB
SCHEMBL15971833 0.82 SMN1; SMN2 (0.51) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL939117 0.82 ALDH1A1 (0.54) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL15971829 0.82 MAPT (0.52) SIRT6MAPTALDH1A1MAPK1POLB
SCHEMBL30574858 0.82 ALDH1A1 (0.54) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL29545794 0.82 MAPT (0.56) SIRT6MAPTALDH1A1MAPK1POLB

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-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